1-[5-[4-(2-tert-butyl-6-phenyl-pyrimidin-4-yl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-dione

Systemtic Name: 1-[5-[4-(2-tert-butyl-6-phenyl-pyrimidin-4-yl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-dione Openeye Name: 1-[5-[4-(2-tert-butyl-6-phenyl-pyrimidin-4-yl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-dione CAS Name: 1-[5-[4-(2-tert-butyl-6-phenyl-4-pyrimidinyl)-1-piperazinyl]-1-oxopentyl]-3,4-dihydro-1-benzazepine-2,5-dione IUPAC Name: 1-[5-[4-(2-tert-butyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-dione Traditional Name: 1-[5-[4-(2-tert-butyl-6-phenyl-pyrimidin-4-yl)piperazino]pentanoyl]-3,4-dihydro-1-benzazepine-2,5-quinone Formula: C33H39N5O3 MolecularWeight: 553.69446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCC(=O)N3C(=O)CCC(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCCC(=O)N3C(=O)CCC(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C33H39N5O3/c1-33(2,3)32-34-26(24-11-5-4-6-12-24)23-29(35-32)37-21-19-36(20-22-37)18-10-9-15-30(40)38-27-14-8-7-13-25(27)28(39)16-17-31(38)41/h4-8,11-14,23H,9-10,15-22H2,1-3H3