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

Systemtic Name: 8-chloranyl-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 3-benzyl-8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one CAS Name: 8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3-(phenylmethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-benzyl-8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 3-benzyl-8-chloro-1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-3H-1,4-benzodiazepin-2-one Formula: C26H23ClN2O2 MolecularWeight: 430.92602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C=CC(=C3)Cl)C(=NC(C2=O)CC4=CC=CC=C4)C5=CC(=CC=C5)O

Isomeric SMILES

C1CC1CN2C3=C(C=CC(=C3)Cl)C(=NC(C2=O)CC4=CC=CC=C4)C5=CC(=CC=C5)O

InChI

InChI=1S/C26H23ClN2O2/c27-20-11-12-22-24(15-20)29(16-18-9-10-18)26(31)23(13-17-5-2-1-3-6-17)28-25(22)19-7-4-8-21(30)14-19/h1-8,11-12,14-15,18,23,30H,9-10,13,16H2