7-chloranyl-5-phenyl-3-[(4-phenylmethoxycyclohex-3-en-1-yl)methyl]-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-phenyl-3-[(4-phenylmethoxycyclohex-3-en-1-yl)methyl]-1,4-benzodiazepin-2-one Openeye Name: 3-[(4-benzyloxycyclohex-3-en-1-yl)methyl]-7-chloro-5-phenyl-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-phenyl-3-[(4-phenylmethoxy-1-cyclohex-3-enyl)methyl]-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-phenyl-3-[(4-phenylmethoxycyclohex-3-en-1-yl)methyl]-1,4-benzodiazepin-2-one Traditional Name: 3-[(4-benzoxycyclohex-3-en-1-yl)methyl]-7-chloro-5-phenyl-1,4-benzodiazepin-2-one Formula: C29H25ClN2O2 MolecularWeight: 468.974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CCC1CC2=NC(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(=CCC1CC2=NC(=C3C=C(C=CC3=NC2=O)Cl)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25ClN2O2/c30-23-13-16-26-25(18-23)28(22-9-5-2-6-10-22)31-27(29(33)32-26)17-20-11-14-24(15-12-20)34-19-21-7-3-1-4-8-21/h1-10,13-14,16,18,20H,11-12,15,17,19H2