1-phenyl-4-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione

Systemtic Name: 1-phenyl-4-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione Openeye Name: 1-phenyl-4-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione CAS Name: 1-phenyl-4-[7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione IUPAC Name: 1-phenyl-4-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione Traditional Name: 1-phenyl-4-[7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]butane-1,4-dione Formula: C28H31N5O3 MolecularWeight: 485.57744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC(=O)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCC(=O)C4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C28H31N5O3/c34-25(23-5-2-1-3-6-23)8-10-27(35)33-17-18-36-26-9-7-22(19-24(26)21-33)20-31-13-15-32(16-14-31)28-29-11-4-12-30-28/h1-7,9,11-12,19H,8,10,13-18,20-21H2