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

Systemtic Name: 5-cyclohexyl-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-3,8-dimethyl-1-(4-nitrophenyl)-1,3,4-benzotriazepin-2-one Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)[N+](=O)[O-])C)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)[N+](=O)[O-])C)C4CCCCC4

InChI

InChI=1S/C22H24N4O3/c1-15-8-13-19-20(14-15)25(17-9-11-18(12-10-17)26(28)29)22(27)24(2)23-21(19)16-6-4-3-5-7-16/h8-14,16H,3-7H2,1-2H3