ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoate

Systemtic Name: ethyl 3-[7-(5-cyanopentyl)-2,5-bis(oxidanylidene)-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[7-(5-cyanopentyl)-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-cyanopentyl)-2,5-dioxo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-(5-cyanopentyl)-2,5-diketo-1,3-diphenyl-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC(C)N1C(C(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C33H35N3O4/c1-3-40-30(37)22-24(2)35-31(26-15-9-6-10-16-26)33(39)36(27-17-11-7-12-18-27)29-20-19-25(23-28(29)32(35)38)14-8-4-5-13-21-34/h6-7,9-12,15-20,23-24,31H,3-5,8,13-14,22H2,1-2H3