N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-propyl-pyrrol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-propyl-pyrrol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-propyl-pyrrol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-propyl-3-pyrrolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-propylpyrrol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-propyl-pyrrol-3-yl]nicotinamide Formula: C25H29N5O2 MolecularWeight: 431.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

CCCN1C=CC(=C1C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4

InChI

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