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

Systemtic Name: 1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-methylol-3H-1,4-benzodiazepin-2-one Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=CC=CC=C3C(=NC(C2=O)CO)C4=CC(=CC=C4)O

Isomeric SMILES

C1CC1CN2C3=CC=CC=C3C(=NC(C2=O)CO)C4=CC(=CC=C4)O

InChI

InChI=1S/C20H20N2O3/c23-12-17-20(25)22(11-13-8-9-13)18-7-2-1-6-16(18)19(21-17)14-4-3-5-15(24)10-14/h1-7,10,13,17,23-24H,8-9,11-12H2