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

Systemtic Name: 8-chloranyl-5-(3-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: 8-chloro-5-(3-hydroxyphenyl)-3-isopropyl-1-pentyl-3H-1,4-benzodiazepin-2-one CAS Name: 8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one IUPAC Name: 8-chloro-5-(3-hydroxyphenyl)-1-pentyl-3-propan-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: 1-amyl-8-chloro-5-(3-hydroxyphenyl)-3-isopropyl-3H-1,4-benzodiazepin-2-one Formula: C23H27ClN2O2 MolecularWeight: 398.92568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)C(C)C)C3=CC(=CC=C3)O

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)Cl)C(=NC(C1=O)C(C)C)C3=CC(=CC=C3)O

InChI

InChI=1S/C23H27ClN2O2/c1-4-5-6-12-26-20-14-17(24)10-11-19(20)22(16-8-7-9-18(27)13-16)25-21(15(2)3)23(26)28/h7-11,13-15,21,27H,4-6,12H2,1-3H3