N-[2-methyl-5-phenyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-methyl-5-phenyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]pyrrol-1-yl]pyridine-4-carboxamide Openeye Name: N-[3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-5-phenyl-pyrrol-1-yl]pyridine-4-carboxamide CAS Name: N-[2-methyl-5-phenyl-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-5-phenylpyrrol-1-yl]pyridine-4-carboxamide Traditional Name: N-[3-[(4-benzylpiperazino)methyl]-2-methyl-5-phenyl-pyrrol-1-yl]isonicotinamide Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O/c1-23-27(22-33-18-16-32(17-19-33)21-24-8-4-2-5-9-24)20-28(25-10-6-3-7-11-25)34(23)31-29(35)26-12-14-30-15-13-26/h2-15,20H,16-19,21-22H2,1H3,(H,31,35)