6-[(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]hexyl 5-azanyl-4-oxidanylidene-pentanoate

Systemtic Name: 6-[(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]hexyl 5-azanyl-4-oxidanylidene-pentanoate Openeye Name: 6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]hexyl 5-amino-4-oxo-pentanoate CAS Name: 5-amino-4-oxopentanoic acid 6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]hexyl ester IUPAC Name: 6-[(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]hexyl 5-amino-4-oxopentanoate Traditional Name: 5-amino-4-keto-valeric acid 6-[(7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)oxy]hexyl ester Formula: C26H30ClN3O5 MolecularWeight: 499.9865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCCCCCCOC(=O)CCC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)OCCCCCCOC(=O)CCC(=O)CN

InChI

InChI=1S/C26H30ClN3O5/c27-19-10-12-22-21(16-19)24(18-8-4-3-5-9-18)30-26(25(33)29-22)35-15-7-2-1-6-14-34-23(32)13-11-20(31)17-28/h3-5,8-10,12,16,26H,1-2,6-7,11,13-15,17,28H2,(H,29,33)