4-[(1-methylpyrazol-4-yl)methyl]-7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-[(1-methylpyrazol-4-yl)methyl]-7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-[(4-benzyloxy-1-piperidyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-[(1-methyl-4-pyrazolyl)methyl]-7-[(4-phenylmethoxy-1-piperidinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-[(1-methylpyrazol-4-yl)methyl]-7-[(4-phenylmethoxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-[(4-benzoxypiperidino)methyl]-4-[(1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OCC5=CC=CC=C5

Isomeric SMILES

CN1C=C(C=N1)CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O2/c1-29-17-24(16-28-29)19-31-13-14-32-27-8-7-23(15-25(27)20-31)18-30-11-9-26(10-12-30)33-21-22-5-3-2-4-6-22/h2-8,15-17,26H,9-14,18-21H2,1H3