N,N-dimethyl-2-[4-[7-[4-[[4-[5-(1-oxidanylpyridin-4-ylidene)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-6-phenyl-pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanamine

Systemtic Name: N,N-dimethyl-2-[4-[7-[4-[[4-[5-(1-oxidanylpyridin-4-ylidene)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-6-phenyl-pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanamine Openeye Name: 2-[4-[7-[4-[[4-[5-(1-hydroxy-4-pyridylidene)-1,2,4-triazol-3-yl]-1-piperidyl]methyl]phenyl]-6-phenyl-pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethyl-ethanamine CAS Name: 2-[4-[7-[4-[[4-[5-(1-hydroxy-4-pyridinylidene)-1,2,4-triazol-3-yl]-1-piperidinyl]methyl]phenyl]-6-phenyl-2-pyrido[2,3-d]pyrimidinyl]-1-piperazinyl]-N,N-dimethylethanamine IUPAC Name: 2-[4-[7-[4-[[4-[5-(1-hydroxypyridin-4-ylidene)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine Traditional Name: 2-[4-[7-[4-[[4-[5-(1-hydroxy-4-pyridylidene)-1,2,4-triazol-3-yl]piperidino]methyl]phenyl]-6-phenyl-pyrido[2,3-d]pyrimidin-2-yl]piperazino]ethyl-dimethyl-amine Formula: C40H45N11O MolecularWeight: 695.8584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCN(CC1)C2=NC3=NC(=C(C=C3C=N2)C4=CC=CC=C4)C5=CC=C(C=C5)CN6CCC(CC6)C7=NC(=C8C=CN(C=C8)O)N=N7

Isomeric SMILES

CN(C)CCN1CCN(CC1)C2=NC3=NC(=C(C=C3C=N2)C4=CC=CC=C4)C5=CC=C(C=C5)CN6CCC(CC6)C7=NC(=C8C=CN(C=C8)O)N=N7

InChI

InChI=1S/C40H45N11O/c1-47(2)20-21-48-22-24-50(25-23-48)40-41-27-34-26-35(30-6-4-3-5-7-30)36(42-37(34)44-40)31-10-8-29(9-11-31)28-49-16-12-32(13-17-49)38-43-39(46-45-38)33-14-18-51(52)19-15-33/h3-11,14-15,18-19,26-27,32,52H,12-13,16-17,20-25,28H2,1-2H3