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

Systemtic Name: 1-butyl-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-butyl-5-(3-hydroxyphenyl)-3-isopropyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-butyl-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-butyl-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-butyl-5-(3-hydroxyphenyl)-3-isopropyl-3H-1,4-benzodiazepin-2-one Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=NC(C1=O)C(C)C)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=NC(C1=O)C(C)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H26N2O2/c1-4-5-13-24-19-12-7-6-11-18(19)21(16-9-8-10-17(25)14-16)23-20(15(2)3)22(24)26/h6-12,14-15,20,25H,4-5,13H2,1-3H3