N-(4-methylphenyl)-4-[4-(2-methylpropanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]piperazine-1-carboxamide

Systemtic Name: N-(4-methylphenyl)-4-[4-(2-methylpropanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]piperazine-1-carboxamide Openeye Name: 4-[4-(2-methylpropanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(p-tolyl)piperazine-1-carboxamide CAS Name: 4-[4-[(2-methyl-1-oxopropyl)amino]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-N-(4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: N-(4-methylphenyl)-4-[4-(2-methylpropanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-[4-(isobutyrylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(p-tolyl)piperazine-1-carboxamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C(C)C)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C(C)C)C(=O)N4CCCC4

InChI

InChI=1S/C27H35N5O3/c1-19(2)25(33)28-22-10-11-24(23(18-22)26(34)31-12-4-5-13-31)30-14-16-32(17-15-30)27(35)29-21-8-6-20(3)7-9-21/h6-11,18-19H,4-5,12-17H2,1-3H3,(H,28,33)(H,29,35)