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

Systemtic Name: 1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-benzyl-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Formula: C26H24N2O2 MolecularWeight: 396.48096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=CC=CC=C3C(=NC(C2=O)CC4=CC=CC=C4)C5=CC(=CC=C5)O

Isomeric SMILES

C1CC1CN2C3=CC=CC=C3C(=NC(C2=O)CC4=CC=CC=C4)C5=CC(=CC=C5)O

InChI

InChI=1S/C26H24N2O2/c29-21-10-6-9-20(16-21)25-22-11-4-5-12-24(22)28(17-19-13-14-19)26(30)23(27-25)15-18-7-2-1-3-8-18/h1-12,16,19,23,29H,13-15,17H2