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

Systemtic Name: (3E)-3-(butylaminomethylidene)-7-chloranyl-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-3-(butylaminomethylene)-7-chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-3-(butylaminomethylidene)-7-chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-3-(butylaminomethylidene)-7-chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-3-(butylaminomethylene)-7-chloro-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CCCCN/C=C/1\C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22ClN3O/c1-3-4-12-23-14-18-21(26)25(2)19-11-10-16(22)13-17(19)20(24-18)15-8-6-5-7-9-15/h5-11,13-14,23H,3-4,12H2,1-2H3/b18-14+