2-[1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-2-oxidanylidene-1,3,4-benzotriazepin-7-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-2-oxidanylidene-1,3,4-benzotriazepin-7-yl]isoindole-1,3-dione Openeye Name: 2-[1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-2-oxo-1,3,4-benzotriazepin-7-yl]isoindoline-1,3-dione CAS Name: 2-[1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-2-oxo-1,3,4-benzotriazepin-7-yl]isoindole-1,3-dione IUPAC Name: 2-[1-(4-aminophenyl)-5-cyclohexyl-3,8-dimethyl-2-oxo-1,3,4-benzotriazepin-7-yl]isoindole-1,3-dione Traditional Name: 2-[1-(4-aminophenyl)-5-cyclohexyl-2-keto-3,8-dimethyl-1,3,4-benzotriazepin-7-yl]isoindoline-1,3-quinone Formula: C30H29N5O3 MolecularWeight: 507.58296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N(C(=O)N(N=C2C3CCCCC3)C)C4=CC=C(C=C4)N)N5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

CC1=C(C=C2C(=C1)N(C(=O)N(N=C2C3CCCCC3)C)C4=CC=C(C=C4)N)N5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C30H29N5O3/c1-18-16-26-24(17-25(18)35-28(36)22-10-6-7-11-23(22)29(35)37)27(19-8-4-3-5-9-19)32-33(2)30(38)34(26)21-14-12-20(31)13-15-21/h6-7,10-17,19H,3-5,8-9,31H2,1-2H3