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

Systemtic Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-2-phenyl-pyrrol-1-yl]pyridine-4-carboxamide Openeye Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-2-phenyl-pyrrol-1-yl]pyridine-4-carboxamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-methyl-2-phenyl-1-pyrrolyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-2-phenylpyrrol-1-yl]pyridine-4-carboxamide Traditional Name: N-[5-methyl-2-phenyl-3-[(4-piperonylpiperazino)methyl]pyrrol-1-yl]isonicotinamide Formula: C30H31N5O3 MolecularWeight: 509.59884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=NC=C2)C3=CC=CC=C3)CN4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H31N5O3/c1-22-17-26(20-34-15-13-33(14-16-34)19-23-7-8-27-28(18-23)38-21-37-27)29(24-5-3-2-4-6-24)35(22)32-30(36)25-9-11-31-12-10-25/h2-12,17-18H,13-16,19-21H2,1H3,(H,32,36)