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

Systemtic Name: 1-[4-[4-(6-tert-butyl-2-ethyl-pyrimidin-4-yl)piperazin-1-yl]butanoyl]-3,4-dihydro-1-benzazepine-2,5-dione Openeye Name: 1-[4-[4-(6-tert-butyl-2-ethyl-pyrimidin-4-yl)piperazin-1-yl]butanoyl]-3,4-dihydro-1-benzazepine-2,5-dione CAS Name: 1-[4-[4-(6-tert-butyl-2-ethyl-4-pyrimidinyl)-1-piperazinyl]-1-oxobutyl]-3,4-dihydro-1-benzazepine-2,5-dione IUPAC Name: 1-[4-[4-(6-tert-butyl-2-ethylpyrimidin-4-yl)piperazin-1-yl]butanoyl]-3,4-dihydro-1-benzazepine-2,5-dione Traditional Name: 1-[4-[4-(6-tert-butyl-2-ethyl-pyrimidin-4-yl)piperazino]butanoyl]-3,4-dihydro-1-benzazepine-2,5-quinone Formula: C28H37N5O3 MolecularWeight: 491.62508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=N1)N2CCN(CC2)CCCC(=O)N3C(=O)CCC(=O)C4=CC=CC=C43)C(C)(C)C

Isomeric SMILES

CCC1=NC(=CC(=N1)N2CCN(CC2)CCCC(=O)N3C(=O)CCC(=O)C4=CC=CC=C43)C(C)(C)C

InChI

InChI=1S/C28H37N5O3/c1-5-24-29-23(28(2,3)4)19-25(30-24)32-17-15-31(16-18-32)14-8-11-26(35)33-21-10-7-6-9-20(21)22(34)12-13-27(33)36/h6-7,9-10,19H,5,8,11-18H2,1-4H3