N-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonylpiperidin-4-yl]-6-pyrrol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonylpiperidin-4-yl]-6-pyrrol-1-yl-pyridine-3-carboxamide Openeye Name: N-[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-4-piperidyl]-6-pyrrol-1-yl-pyridine-3-carboxamide CAS Name: N-[4-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-4-piperidinyl]-6-(1-pyrrolyl)-3-pyridinecarboxamide IUPAC Name: N-[4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]piperidin-4-yl]-6-pyrrol-1-ylpyridine-3-carboxamide Traditional Name: N-[4-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-4-piperidyl]-6-pyrrol-1-yl-nicotinamide Formula: C28H34N6O2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3(CCNCC3)NC(=O)C4=CN=C(C=C4)N5C=CC=C5

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C3(CCNCC3)NC(=O)C4=CN=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C28H34N6O2/c1-21-6-5-7-24(18-21)34-17-16-33(20-22(34)2)27(36)28(10-12-29-13-11-28)31-26(35)23-8-9-25(30-19-23)32-14-3-4-15-32/h3-9,14-15,18-19,22,29H,10-13,16-17,20H2,1-2H3,(H,31,35)