2-[3-[5-cyclohexyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[5-cyclohexyl-2-oxidanylidene-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-[5-cyclohexyl-2-oxo-3-(phenylmethyl)-1,3,4-benzotriazepin-1-yl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(3-benzyl-5-cyclohexyl-2-keto-1,3,4-benzotriazepin-1-yl)propyl]isoindoline-1,3-quinone Formula: C32H32N4O3 MolecularWeight: 520.62148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CCCN4C(=O)C5=CC=CC=C5C4=O)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=NN(C(=O)N(C3=CC=CC=C32)CCCN4C(=O)C5=CC=CC=C5C4=O)CC6=CC=CC=C6

InChI

InChI=1S/C32H32N4O3/c37-30-25-16-7-8-17-26(25)31(38)35(30)21-11-20-34-28-19-10-9-18-27(28)29(24-14-5-2-6-15-24)33-36(32(34)39)22-23-12-3-1-4-13-23/h1,3-4,7-10,12-13,16-19,24H,2,5-6,11,14-15,20-22H2