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

Systemtic Name: 5-(3-hydroxyphenyl)-1-pentyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one CAS Name: 5-(3-hydroxyphenyl)-1-pentyl-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-5-(3-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-amyl-3-benzyl-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(=NC(C1=O)CC3=CC=CC=C3)C4=CC(=CC=C4)O

InChI

InChI=1S/C27H28N2O2/c1-2-3-9-17-29-25-16-8-7-15-23(25)26(21-13-10-14-22(30)19-21)28-24(27(29)31)18-20-11-5-4-6-12-20/h4-8,10-16,19,24,30H,2-3,9,17-18H2,1H3