(3E)-7-chloranyl-5-phenyl-3-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-5-phenyl-3-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-5-phenyl-3-(1H-pyrrol-2-ylmethylene)-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-5-phenyl-3-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-5-phenyl-3-(1H-pyrrol-2-ylmethylidene)-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-5-phenyl-3-(1H-pyrrol-2-ylmethylene)-4H-1,4-benzodiazepin-2-one Formula: C20H14ClN3O MolecularWeight: 347.79766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)C(=CC4=CC=CN4)N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=O)/C(=C\C4=CC=CN4)/N2)Cl

InChI

InChI=1S/C20H14ClN3O/c21-14-8-9-17-16(11-14)19(13-5-2-1-3-6-13)23-18(20(25)24-17)12-15-7-4-10-22-15/h1-12,22-23H/b18-12+