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

Systemtic Name: 8-chloranyl-1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 8-chloro-1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 8-chloro-1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 8-chloro-1-(cyclopropylmethyl)-3-(hydroxymethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-methylol-3H-1,4-benzodiazepin-2-one Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C=CC(=C3)Cl)C(=NC(C2=O)CO)C4=CC(=CC=C4)O

Isomeric SMILES

C1CC1CN2C3=C(C=CC(=C3)Cl)C(=NC(C2=O)CO)C4=CC(=CC=C4)O

InChI

InChI=1S/C20H19ClN2O3/c21-14-6-7-16-18(9-14)23(10-12-4-5-12)20(26)17(11-24)22-19(16)13-2-1-3-15(25)8-13/h1-3,6-9,12,17,24-25H,4-5,10-11H2