N-(3-chloranyl-4-methyl-phenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-(3-chloro-4-methyl-phenyl)piperazine-1-carboxamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-(3-chloro-4-methyl-phenyl)piperazine-1-carboxamide Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-16-7-8-18(13-19(16)22)24-21(28)26-11-9-25(10-12-26)15-20(27)23-14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,23,27)(H,24,28)