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

Systemtic Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-2-phenyl-pyrrol-1-yl]pyrazine-2-carboxamide Openeye Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-2-phenyl-pyrrol-1-yl]pyrazine-2-carboxamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5-methyl-2-phenyl-1-pyrrolyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-methyl-2-phenylpyrrol-1-yl]pyrazine-2-carboxamide Traditional Name: N-[5-methyl-2-phenyl-3-[(4-piperonylpiperazino)methyl]pyrrol-1-yl]pyrazinamide Formula: C29H30N6O3 MolecularWeight: 510.5869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N6O3/c1-21-15-24(19-34-13-11-33(12-14-34)18-22-7-8-26-27(16-22)38-20-37-26)28(23-5-3-2-4-6-23)35(21)32-29(36)25-17-30-9-10-31-25/h2-10,15-17H,11-14,18-20H2,1H3,(H,32,36)