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

Systemtic Name: 1-butyl-8-chloranyl-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-1-butyl-8-chloro-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-butyl-8-chloro-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-1-butyl-8-chloro-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-benzyl-1-butyl-8-chloro-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Formula: C26H25ClN2O2 MolecularWeight: 432.9419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

InChI

InChI=1S/C26H25ClN2O2/c1-2-3-14-29-24-17-20(27)12-13-22(24)25(19-10-7-11-21(30)16-19)28-23(26(29)31)15-18-8-5-4-6-9-18/h4-13,16-17,23,30H,2-3,14-15H2,1H3