N-(3-methylphenyl)-4-[4-(propanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-[4-(propanoylamino)-2-pyrrolidin-1-ylcarbonyl-phenyl]piperazine-1-carboxamide Openeye Name: N-(m-tolyl)-4-[4-(propanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide CAS Name: N-(3-methylphenyl)-4-[4-(1-oxopropylamino)-2-[oxo(1-pyrrolidinyl)methyl]phenyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methylphenyl)-4-[4-(propanoylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(m-tolyl)-4-[4-propionamido-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C)C(=O)N4CCCC4

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3)C)C(=O)N4CCCC4

InChI

InChI=1S/C26H33N5O3/c1-3-24(32)27-21-9-10-23(22(18-21)25(33)30-11-4-5-12-30)29-13-15-31(16-14-29)26(34)28-20-8-6-7-19(2)17-20/h6-10,17-18H,3-5,11-16H2,1-2H3,(H,27,32)(H,28,34)