azanyl 3-[8-(4-carbamimidoylphenyl)carbonyl-6-oxidanylidene-1,2-benzodiazepin-5-yl]propanoate

Systemtic Name: azanyl 3-[8-(4-carbamimidoylphenyl)carbonyl-6-oxidanylidene-1,2-benzodiazepin-5-yl]propanoate Openeye Name: amino 3-[8-(4-carbamimidoylbenzoyl)-6-oxo-1,2-benzodiazepin-5-yl]propanoate CAS Name: 3-[8-[(4-carbamimidoylphenyl)-oxomethyl]-6-oxo-1,2-benzodiazepin-5-yl]propanoic acid amino ester IUPAC Name: amino 3-[8-(4-carbamimidoylbenzoyl)-6-oxo-1,2-benzodiazepin-5-yl]propanoate Traditional Name: 3-[8-(4-amidinobenzoyl)-6-keto-1,2-benzodiazepin-5-yl]propionic acid amino ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC(=O)C3=C(C=CN=NC3=C2)CCC(=O)ON)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC(=O)C3=C(C=CN=NC3=C2)CCC(=O)ON)C(=N)N

InChI

InChI=1S/C20H17N5O4/c21-20(22)13-3-1-12(2-4-13)19(28)14-9-15-18(16(26)10-14)11(7-8-24-25-15)5-6-17(27)29-23/h1-4,7-10H,5-6,23H2,(H3,21,22)