(3E)-7-chloranyl-3-[(dipropylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one

Systemtic Name: (3E)-7-chloranyl-3-[(dipropylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Openeye Name: (3E)-7-chloro-3-[(dipropylamino)methylene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3E)-7-chloro-3-[(dipropylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one IUPAC Name: (3E)-7-chloro-3-[(dipropylamino)methylidene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Traditional Name: (3E)-7-chloro-3-[(dipropylamino)methylene]-1-methyl-5-phenyl-1,4-benzodiazepin-2-one Formula: C23H26ClN3O MolecularWeight: 395.92504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O/c1-4-13-27(14-5-2)16-20-23(28)26(3)21-12-11-18(24)15-19(21)22(25-20)17-9-7-6-8-10-17/h6-12,15-16H,4-5,13-14H2,1-3H3/b20-16+