5-cyclohexyl-7-methoxy-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one

Systemtic Name: 5-cyclohexyl-7-methoxy-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-7-methoxy-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-7-methoxy-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-7-methoxy-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-7-methoxy-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Formula: C23H26N4O4 MolecularWeight: 422.47694

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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+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=C2C(=C1)N(C(=O)N(N=C2C3CCCCC3)C)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H26N4O4/c1-15-13-20-19(14-21(15)31-3)22(16-7-5-4-6-8-16)24-25(2)23(28)26(20)17-9-11-18(12-10-17)27(29)30/h9-14,16H,4-8H2,1-3H3