2-methylpropyl 2-[3-azanyl-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[3-azanyl-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-1-yl]ethanoate Openeye Name: isobutyl 2-(3-amino-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)acetate CAS Name: 2-(3-amino-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(3-amino-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl)acetate Traditional Name: 2-(3-amino-2,4-diketo-5-phenyl-1,5-benzodiazepin-1-yl)acetic acid isobutyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CN1C2=CC=CC=C2N(C(=O)C(C1=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)CN1C2=CC=CC=C2N(C(=O)C(C1=O)N)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-14(2)13-28-18(25)12-23-16-10-6-7-11-17(16)24(15-8-4-3-5-9-15)21(27)19(22)20(23)26/h3-11,14,19H,12-13,22H2,1-2H3