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

Systemtic Name: (3E)-7-chloranyl-5-phenyl-3-(piperidin-1-ylmethylidene)-4H-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-5-phenyl-3-(1-piperidylmethylene)-4H-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-5-phenyl-3-(1-piperidinylmethylidene)-4H-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-5-phenyl-3-(piperidin-1-ylmethylidene)-4H-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-5-phenyl-3-(piperidinomethylene)-4H-1,4-benzodiazepin-2-one Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C=C2C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)/C=C/2\C(=O)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O/c22-16-9-10-18-17(13-16)20(15-7-3-1-4-8-15)23-19(21(26)24-18)14-25-11-5-2-6-12-25/h1,3-4,7-10,13-14,23H,2,5-6,11-12H2/b19-14+