ethyl 3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate

Systemtic Name: ethyl 3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate Openeye Name: ethyl 3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate CAS Name: 3-[3-[[(3-methoxyanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(3-methoxyphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]propanoate Traditional Name: 3-[2-keto-3-[(3-methoxyphenyl)carbamoylamino]-5-phenyl-3H-1,4-benzodiazepin-1-yl]propionic acid ethyl ester Formula: C28H28N4O5 MolecularWeight: 500.54572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O5/c1-3-37-24(33)16-17-32-23-15-8-7-14-22(23)25(19-10-5-4-6-11-19)30-26(27(32)34)31-28(35)29-20-12-9-13-21(18-20)36-2/h4-15,18,26H,3,16-17H2,1-2H3,(H2,29,31,35)