4-(2-ethylbutyl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(2-ethylbutyl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(2-ethylbutyl)-7-[[4-(2-pyridyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(2-ethylbutyl)-7-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(2-ethylbutyl)-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(2-ethylbutyl)-7-[[4-(2-pyridyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C25H36N4O MolecularWeight: 408.57954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1CCOC2=C(C1)C=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC(CC)CN1CCOC2=C(C1)C=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H36N4O/c1-3-21(4-2)18-28-15-16-30-24-9-8-22(17-23(24)20-28)19-27-11-13-29(14-12-27)25-7-5-6-10-26-25/h5-10,17,21H,3-4,11-16,18-20H2,1-2H3