(1E)-2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-pyrrol-2-ylidene-ethanolate

Systemtic Name: (1E)-2-[3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-pyrrol-2-ylidene-ethanolate Openeye Name: (1E)-2-[3-(m-tolylcarbamoylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-pyrrol-2-ylidene-ethanolate CAS Name: (1E)-2-[3-[[(3-methylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-(2-pyrrolylidene)ethanolate IUPAC Name: (1E)-2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-pyrrol-2-ylideneethanolate Traditional Name: (1E)-2-[2-keto-3-(m-tolylcarbamoylamino)-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-pyrrol-2-ylidene-ethanolate Formula: C29H24N5O3- MolecularWeight: 490.53256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=C5C=CC=N5)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C/C(=C\5/C=CC=N5)/[O-]

InChI

InChI=1S/C29H25N5O3/c1-19-9-7-12-21(17-19)31-29(37)33-27-28(36)34(18-25(35)23-14-8-16-30-23)24-15-6-5-13-22(24)26(32-27)20-10-3-2-4-11-20/h2-17,27,35H,18H2,1H3,(H2,31,33,37)/p-1/b25-23+