7-chloranyl-1-(2-methylpropyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-(2-methylpropyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-isobutyl-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(2-methylpropyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(2-methylpropyl)-5-phenyl-3-propyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-isobutyl-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:

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C22H25ClN2O/c1-4-8-19-22(26)25(14-15(2)3)20-12-11-17(23)13-18(20)21(24-19)16-9-6-5-7-10-16/h5-7,9-13,15,19H,4,8,14H2,1-3H3