1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-7-phenylmethoxy-1,3,4-benzotriazepin-2-one

Systemtic Name: 1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-7-phenylmethoxy-1,3,4-benzotriazepin-2-one Openeye Name: 1-(4-aminophenyl)-7-benzyloxy-5-cyclohexyl-3,8-dimethyl-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-7-phenylmethoxy-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-7-phenylmethoxy-1,3,4-benzotriazepin-2-one Traditional Name: 1-(4-aminophenyl)-7-benzoxy-5-cyclohexyl-3,8-dimethyl-1,3,4-benzotriazepin-2-one Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N(C(=O)N(N=C2C3CCCCC3)C)C4=CC=C(C=C4)N)OCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C2C(=C1)N(C(=O)N(N=C2C3CCCCC3)C)C4=CC=C(C=C4)N)OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2/c1-20-17-26-25(18-27(20)35-19-21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)31-32(2)29(34)33(26)24-15-13-23(30)14-16-24/h3,5-6,9-10,13-18,22H,4,7-8,11-12,19,30H2,1-2H3