piperazin-1-yl 2-[8-[ethyl(methyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: piperazin-1-yl 2-[8-[ethyl(methyl)carbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: piperazin-1-yl 2-[8-[ethyl(methyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-[[ethyl(methyl)amino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid 1-piperazinyl ester IUPAC Name: piperazin-1-yl 2-[8-[ethyl(methyl)carbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-[ethyl(methyl)carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid piperazino ester Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=CC2=C(CN(C(=O)C(N2)CC(=O)ON3CCNCC3)CCC4=CC=CC=C4)C=C1

Isomeric SMILES

CCN(C)C(=O)C1=CC2=C(CN(C(=O)C(N2)CC(=O)ON3CCNCC3)CCC4=CC=CC=C4)C=C1

InChI

InChI=1S/C27H35N5O4/c1-3-30(2)26(34)21-9-10-22-19-31(14-11-20-7-5-4-6-8-20)27(35)24(29-23(22)17-21)18-25(33)36-32-15-12-28-13-16-32/h4-10,17,24,28-29H,3,11-16,18-19H2,1-2H3