1H-1,2-benzodiazepine; 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1H-1,2-benzodiazepine; 7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1H-1,2-benzodiazepine; 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1H-1,2-benzodiazepine; 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1H-1,2-benzodiazepine; 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1H-1,2-benzodiazepine; 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C25H21ClN4O MolecularWeight: 428.91344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=NN2

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C1=CC=C2C(=C1)C=CC=NN2

InChI

InChI=1S/C16H13ClN2O.C9H8N2/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;1-2-6-9-8(4-1)5-3-7-10-11-9/h2-9H,10H2,1H3;1-7,11H