aminocarbonyl 2-(3-oxidanylidene-4-phenethyl-2-piperidin-4-yl-1-propyl-5H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: aminocarbonyl 2-(3-oxidanylidene-4-phenethyl-2-piperidin-4-yl-1-propyl-5H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: carbamoyl 2-[3-oxo-4-phenethyl-2-(4-piperidyl)-1-propyl-5H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[3-oxo-4-phenethyl-2-(4-piperidinyl)-1-propyl-5H-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester IUPAC Name: carbamoyl 2-(3-oxo-4-phenethyl-2-piperidin-4-yl-1-propyl-5H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-[3-keto-4-phenethyl-2-(4-piperidyl)-1-propyl-5H-1,4-benzodiazepin-2-yl]acetic acid carbamoyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2CN(C(=O)C1(CC(=O)OC(=O)N)C3CCNCC3)CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=CC=CC=C2CN(C(=O)C1(CC(=O)OC(=O)N)C3CCNCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O4/c1-2-17-32-24-11-7-6-10-22(24)20-31(18-14-21-8-4-3-5-9-21)26(34)28(32,19-25(33)36-27(29)35)23-12-15-30-16-13-23/h3-11,23,30H,2,12-20H2,1H3,(H2,29,35)