4-(3-phenylpropyl)-7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 4-(3-phenylpropyl)-7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 4-(3-phenylpropyl)-7-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 4-(3-phenylpropyl)-7-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 4-(3-phenylpropyl)-7-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 4-(3-phenylpropyl)-7-[[4-(2-pyridylmethyl)piperazino]methyl]-3,5-dihydro-2H-1,4-benzoxazepine Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CCCC4=CC=CC=C4)CC5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCN(C3)CCCC4=CC=CC=C4)CC5=CC=CC=N5

InChI

InChI=1S/C29H36N4O/c1-2-7-25(8-3-1)9-6-14-31-19-20-34-29-12-11-26(21-27(29)23-31)22-32-15-17-33(18-16-32)24-28-10-4-5-13-30-28/h1-5,7-8,10-13,21H,6,9,14-20,22-24H2