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

Systemtic Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Openeye Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one CAS Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-(4-oxanyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Traditional Name: 5-cyclohexyl-8-methyl-1-(4-nitrophenyl)-3-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one Formula: C26H30N4O4 MolecularWeight: 462.5408

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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-])C4CCOCC4)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)[N+](=O)[O-])C4CCOCC4)C5CCCCC5

InChI

InChI=1S/C26H30N4O4/c1-18-7-12-23-24(17-18)28(20-8-10-22(11-9-20)30(32)33)26(31)29(21-13-15-34-16-14-21)27-25(23)19-5-3-2-4-6-19/h7-12,17,19,21H,2-6,13-16H2,1H3