methyl 2-[[1-[(3-cyanophenyl)carbamoyl]-4-(phenylmethyl)piperazin-2-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-[(3-cyanophenyl)carbamoyl]-4-(phenylmethyl)piperazin-2-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-benzyl-1-[(3-cyanophenyl)carbamoyl]piperazine-2-carbonyl]amino]acetate CAS Name: 2-[[[1-[(3-cyanoanilino)-oxomethyl]-4-(phenylmethyl)-2-piperazinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-benzyl-1-[(3-cyanophenyl)carbamoyl]piperazine-2-carbonyl]amino]acetate Traditional Name: 2-[[4-benzyl-1-[(3-cyanophenyl)carbamoyl]piperazine-2-carbonyl]amino]acetic acid methyl ester Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1CN(CCN1C(=O)NC2=CC=CC(=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CNC(=O)C1CN(CCN1C(=O)NC2=CC=CC(=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H25N5O4/c1-32-21(29)14-25-22(30)20-16-27(15-17-6-3-2-4-7-17)10-11-28(20)23(31)26-19-9-5-8-18(12-19)13-24/h2-9,12,20H,10-11,14-16H2,1H3,(H,25,30)(H,26,31)