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

Systemtic Name: 5-phenyl-1-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pentan-1-one Openeye Name: 5-phenyl-1-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pentan-1-one CAS Name: 5-phenyl-1-[7-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-1-pentanone IUPAC Name: 5-phenyl-1-[7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pentan-1-one Traditional Name: 5-phenyl-1-[7-[[4-(2-pyrimidyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pentan-1-one Formula: C29H35N5O2 MolecularWeight: 485.6205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCCCC4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCCCC4=CC=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C29H35N5O2/c35-28(10-5-4-9-24-7-2-1-3-8-24)34-19-20-36-27-12-11-25(21-26(27)23-34)22-32-15-17-33(18-16-32)29-30-13-6-14-31-29/h1-3,6-8,11-14,21H,4-5,9-10,15-20,22-23H2