4-(4-butylcyclohexyl)carbonyl-7-chloranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-butylcyclohexyl)carbonyl-7-chloranyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(4-butylcyclohexanecarbonyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[(4-butylcyclohexyl)-oxomethyl]-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-butylcyclohexanecarbonyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(4-butylcyclohexanecarbonyl)-7-chloro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C26H31ClN2O2 MolecularWeight: 438.98954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N2CC(=O)NC3=C(C2C4=CC=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C26H31ClN2O2/c1-2-3-7-18-10-12-20(13-11-18)26(31)29-17-24(30)28-23-15-14-21(27)16-22(23)25(29)19-8-5-4-6-9-19/h4-6,8-9,14-16,18,20,25H,2-3,7,10-13,17H2,1H3,(H,28,30)