1-(4-azanylbutyl)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-(4-azanylbutyl)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(4-aminobutyl)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-(4-aminobutyl)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(4-aminobutyl)-3-[(4-hydroxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(4-aminobutyl)-3-(4-hydroxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCCN)CC4=CC=C(C=C4)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CCCCN)CC4=CC=C(C=C4)O

InChI

InChI=1S/C26H27N3O2/c27-16-6-7-17-29-24-11-5-4-10-22(24)25(20-8-2-1-3-9-20)28-23(26(29)31)18-19-12-14-21(30)15-13-19/h1-5,8-15,23,30H,6-7,16-18,27H2