3-methyl-1-phenyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: 3-methyl-1-phenyl-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: 3-methyl-1-phenyl-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-3-methyl-1-phenyl-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C29H34N6O MolecularWeight: 482.61986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3)N4C=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N6O/c1-24-27(29(34-17-8-9-18-34)35(31-24)26-13-6-3-7-14-26)28(36)30-15-10-16-32-19-21-33(22-20-32)23-25-11-4-2-5-12-25/h2-9,11-14,17-18H,10,15-16,19-23H2,1H3,(H,30,36)