8-[(3-phenylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide

Systemtic Name: 8-[(3-phenylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Openeye Name: 8-[(3-phenylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide CAS Name: 8-[(3-phenylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide IUPAC Name: 8-[(3-phenylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepine-3-carboxamide Traditional Name: 8-[(3-phenylpropylamino)methyl]-5,6-dihydrobenzo[b][1]benzoxepin-3-carboxamide Formula: C25H26N2O2 MolecularWeight: 386.48614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)N)OC3=C1C=C(C=C3)CNCCCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)N)OC3=C1C=C(C=C3)CNCCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2/c26-25(28)22-11-13-24-21(16-22)10-9-20-15-19(8-12-23(20)29-24)17-27-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,11-13,15-16,27H,4,7,9-10,14,17H2,(H2,26,28)