1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one

Systemtic Name: 1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one Openeye Name: 1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one CAS Name: 1-[7-[(4-phenyl-1-piperazinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(1-pyrazolyl)-1-propanone IUPAC Name: 1-[7-[(4-phenylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-ylpropan-1-one Traditional Name: 1-[7-[(4-phenylpiperazino)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyrazol-1-yl-propan-1-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCN4C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)C(=O)CCN4C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5O2/c32-26(9-12-31-11-4-10-27-31)30-17-18-33-25-8-7-22(19-23(25)21-30)20-28-13-15-29(16-14-28)24-5-2-1-3-6-24/h1-8,10-11,19H,9,12-18,20-21H2