1-butyl-8-chloranyl-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-butyl-8-chloranyl-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 1-butyl-8-chloro-5-(3-hydroxyphenyl)-3-isopropyl-3H-1,4-benzodiazepin-2-one CAS Name: 1-butyl-8-chloro-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-butyl-8-chloro-5-(3-hydroxyphenyl)-3-propan-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-butyl-8-chloro-5-(3-hydroxyphenyl)-3-isopropyl-3H-1,4-benzodiazepin-2-one Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)C(C)C)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)C(C)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H25ClN2O2/c1-4-5-11-25-19-13-16(23)9-10-18(19)21(15-7-6-8-17(26)12-15)24-20(14(2)3)22(25)27/h6-10,12-14,20,26H,4-5,11H2,1-3H3