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

Systemtic Name: 1-(4-aminophenyl)-5-cyclohexyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-3-yl)-8-methyl-1,3,4-benzotriazepin-2-one Openeye Name: 1-(4-aminophenyl)-5-cyclohexyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-3-yl)-8-methyl-1,3,4-benzotriazepin-2-one CAS Name: 1-(4-aminophenyl)-5-cyclohexyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-3-yl)-8-methyl-1,3,4-benzotriazepin-2-one IUPAC Name: 1-(4-aminophenyl)-5-cyclohexyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-3-yl)-8-methyl-1,3,4-benzotriazepin-2-one Traditional Name: 1-(4-aminophenyl)-5-cyclohexyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-3-yl)-8-methyl-1,3,4-benzotriazepin-2-one Formula: C30H32N4O3 MolecularWeight: 496.60008

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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)C4COC5=CC=CC=C5OC4)C6CCCCC6

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=O)N2C3=CC=C(C=C3)N)C4COC5=CC=CC=C5OC4)C6CCCCC6

InChI

InChI=1S/C30H32N4O3/c1-20-11-16-25-26(17-20)33(23-14-12-22(31)13-15-23)30(35)34(32-29(25)21-7-3-2-4-8-21)24-18-36-27-9-5-6-10-28(27)37-19-24/h5-6,9-17,21,24H,2-4,7-8,18-19,31H2,1H3