(E)-4-[[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[(3S)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]amino]but-2-enoate Formula: C20H16N3O3- MolecularWeight: 346.35934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C(C1C3=CC=CC=C3)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C([C@H]1C3=CC=CC=C3)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C20H17N3O3/c1-13-19(14-7-3-2-4-8-14)20(23-17(24)11-12-18(25)26)22-16-10-6-5-9-15(16)21-13/h2-12,19H,1H3,(H,25,26)(H,22,23,24)/p-1/b12-11+/t19-/m1/s1