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

Systemtic Name: 1-butyl-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-1-butyl-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-butyl-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-1-butyl-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-benzyl-1-butyl-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

InChI

InChI=1S/C26H26N2O2/c1-2-3-16-28-24-15-8-7-14-22(24)25(20-12-9-13-21(29)18-20)27-23(26(28)30)17-19-10-5-4-6-11-19/h4-15,18,23,29H,2-3,16-17H2,1H3