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

Systemtic Name: 1-(4-aminophenyl)-5-cyclohexyl-8-methyl-3-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Openeye Name: 1-(4-aminophenyl)-5-cyclohexyl-8-methyl-3-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-aminophenyl)-5-cyclohexyl-8-methyl-3-(4-oxanyl)-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(4-aminophenyl)-5-cyclohexyl-8-methyl-3-(oxan-4-yl)-1,3,4-benzotriazepin-2-one Traditional Name: 1-(4-aminophenyl)-5-cyclohexyl-8-methyl-3-tetrahydropyran-4-yl-1,3,4-benzotriazepin-2-one Formula: C26H32N4O2 MolecularWeight: 432.55788

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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)C4CCOCC4)C5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)N)C4CCOCC4)C5CCCCC5

InChI

InChI=1S/C26H32N4O2/c1-18-7-12-23-24(17-18)29(21-10-8-20(27)9-11-21)26(31)30(22-13-15-32-16-14-22)28-25(23)19-5-3-2-4-6-19/h7-12,17,19,22H,2-6,13-16,27H2,1H3