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

Systemtic Name: ethyl 3-[7-(5-cyanopentyl)-1-methyl-2,5-bis(oxidanylidene)-3H-1,4-benzodiazepin-4-yl]butanoate Openeye Name: ethyl 3-[7-(5-cyanopentyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoate CAS Name: 3-[7-(5-cyanopentyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[7-(5-cyanopentyl)-1-methyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]butanoate Traditional Name: 3-[7-(5-cyanopentyl)-2,5-diketo-1-methyl-3H-1,4-benzodiazepin-4-yl]butyric acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C

Isomeric SMILES

CCOC(=O)CC(C)N1CC(=O)N(C2=C(C1=O)C=C(C=C2)CCCCCC#N)C

InChI

InChI=1S/C22H29N3O4/c1-4-29-21(27)13-16(2)25-15-20(26)24(3)19-11-10-17(14-18(19)22(25)28)9-7-5-6-8-12-23/h10-11,14,16H,4-9,13,15H2,1-3H3