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

Systemtic Name: (3E)-7-chloranyl-1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethylidene)-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethylene)-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-1-methyl-5-phenyl-3-(1-pyrrolidinylmethylidene)-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-1-methyl-5-phenyl-3-(pyrrolidin-1-ylmethylidene)-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-1-methyl-5-phenyl-3-(pyrrolidinomethylene)-1,4-benzodiazepin-2-one Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(=NC(=CN3CCCC3)C1=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(=N/C(=C/N3CCCC3)/C1=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN3O/c1-24-19-10-9-16(22)13-17(19)20(15-7-3-2-4-8-15)23-18(21(24)26)14-25-11-5-6-12-25/h2-4,7-10,13-14H,5-6,11-12H2,1H3/b18-14+