N-[(4-aminocarbonylphenyl)methyl]-N-(3-chloranyl-4-methyl-phenyl)-1-ethanoyl-4-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: N-[(4-aminocarbonylphenyl)methyl]-N-(3-chloranyl-4-methyl-phenyl)-1-ethanoyl-4-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(4-carbamoylphenyl)methyl]-N-(3-chloro-4-methyl-phenyl)-4-[3-(1-piperidyl)propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(4-carbamoylphenyl)methyl]-N-(3-chloro-4-methylphenyl)-4-[3-(1-piperidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(4-carbamoylphenyl)methyl]-N-(3-chloro-4-methylphenyl)-4-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(4-carbamoylbenzyl)-N-(3-chloro-4-methyl-phenyl)-4-(3-piperidinopropyl)isonipecotamide Formula: C31H41ClN4O3 MolecularWeight: 553.13524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N)C(=O)C3(CCN(CC3)C(=O)C)CCCN4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N)C(=O)C3(CCN(CC3)C(=O)C)CCCN4CCCCC4)Cl

InChI

InChI=1S/C31H41ClN4O3/c1-23-7-12-27(21-28(23)32)36(22-25-8-10-26(11-9-25)29(33)38)30(39)31(14-19-35(20-15-31)24(2)37)13-6-18-34-16-4-3-5-17-34/h7-12,21H,3-6,13-20,22H2,1-2H3,(H2,33,38)