1-[(E)-4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione

Systemtic Name: 1-[(E)-4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione Openeye Name: 1-[(E)-4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione CAS Name: 1-[(E)-4-[4-(2-tert-butyl-6-cyclobutyl-4-pyrimidinyl)-1-piperazinyl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione IUPAC Name: 1-[(E)-4-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-dione Traditional Name: 1-[(E)-4-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazino]but-2-enyl]-3,4-dihydro-1-benzazepine-2,5-quinone Formula: C30H39N5O2 MolecularWeight: 501.66296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CC=CCN3C(=O)CCC(=O)C4=CC=CC=C43)C5CCC5

Isomeric SMILES

CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)C/C=C/CN3C(=O)CCC(=O)C4=CC=CC=C43)C5CCC5

InChI

InChI=1S/C30H39N5O2/c1-30(2,3)29-31-24(22-9-8-10-22)21-27(32-29)34-19-17-33(18-20-34)15-6-7-16-35-25-12-5-4-11-23(25)26(36)13-14-28(35)37/h4-7,11-12,21-22H,8-10,13-20H2,1-3H3/b7-6+