1-butyl-7-chloranyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-butyl-7-chloranyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-butyl-7-chloro-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-butyl-7-chloro-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-butyl-7-chloro-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-butyl-7-chloro-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Formula: C22H25ClN2O MolecularWeight: 368.8997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CCC)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CCC)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O/c1-3-5-14-25-20-13-12-17(23)15-18(20)21(16-10-7-6-8-11-16)24-19(9-4-2)22(25)26/h6-8,10-13,15,19H,3-5,9,14H2,1-2H3