5-methyl-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[(3S)-5-(4-methylpiperazin-1-yl)chroman-3-yl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-methyl-N-[(3S)-5-(4-methyl-1-piperazinyl)-3,4-dihydro-2H-1-benzopyran-3-yl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-methyl-N-[(3S)-5-(4-methylpiperazino)chroman-3-yl]-1-phenyl-pyrazole-4-carboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3CC4=C(C=CC=C4OC3)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N[C@H]3CC4=C(C=CC=C4OC3)N5CCN(CC5)C

InChI

InChI=1S/C25H29N5O2/c1-18-22(16-26-30(18)20-7-4-3-5-8-20)25(31)27-19-15-21-23(9-6-10-24(21)32-17-19)29-13-11-28(2)12-14-29/h3-10,16,19H,11-15,17H2,1-2H3,(H,27,31)/t19-/m0/s1