8-chloranyl-5-(3-hydroxyphenyl)-1-pentyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 8-chloranyl-5-(3-hydroxyphenyl)-1-pentyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one CAS Name: 8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-amyl-3-benzyl-8-chloro-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

InChI

InChI=1S/C27H27ClN2O2/c1-2-3-7-15-30-25-18-21(28)13-14-23(25)26(20-11-8-12-22(31)17-20)29-24(27(30)32)16-19-9-5-4-6-10-19/h4-6,8-14,17-18,24,31H,2-3,7,15-16H2,1H3