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

Systemtic Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3H-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3H-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3H-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3H-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3H-1,3,4-benzotriazepin-2-one Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14-7-12-18-19(13-14)24(16-8-10-17(11-9-16)25(27)28)21(26)23-22-20(18)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H,23,26)