6-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]-6,11-dihydropyrrolo[2,1-c][1,4]benzoxazepine

Systemtic Name: 6-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]-6,11-dihydropyrrolo[2,1-c][1,4]benzoxazepine Openeye Name: 6-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]-4-piperidyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzoxazepine CAS Name: 6-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]-4-piperidinyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzoxazepine IUPAC Name: 6-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]piperidin-4-yl]-6,11-dihydropyrrolo[2,1-c][1,4]benzoxazepine Traditional Name: 6-[1-[2-(3,4,5-trimethoxyphenyl)ethyl]-4-piperidyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzoxazepine Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCN2CCC(CC2)C3C4=CC=CN4CC5=CC=CC=C5O3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCN2CCC(CC2)C3C4=CC=CN4CC5=CC=CC=C5O3

InChI

InChI=1S/C28H34N2O4/c1-31-25-17-20(18-26(32-2)28(25)33-3)10-14-29-15-11-21(12-16-29)27-23-8-6-13-30(23)19-22-7-4-5-9-24(22)34-27/h4-9,13,17-18,21,27H,10-12,14-16,19H2,1-3H3