N-(1-phenethylpyrrolidin-3-yl)-9,10,10a,11-tetrahydro-5H-benzo[b][1]benzazepine-5-carboxamide

Systemtic Name: N-(1-phenethylpyrrolidin-3-yl)-9,10,10a,11-tetrahydro-5H-benzo[b][1]benzazepine-5-carboxamide Openeye Name: N-(1-phenethylpyrrolidin-3-yl)-9,10,10a,11-tetrahydro-5H-benzo[b][1]benzazepine-5-carboxamide CAS Name: N-(1-phenethyl-3-pyrrolidinyl)-9,10,10a,11-tetrahydro-5H-benzo[b][1]benzazepine-5-carboxamide IUPAC Name: N-(1-phenethylpyrrolidin-3-yl)-9,10,10a,11-tetrahydro-5H-benzo[b][1]benzazepine-5-carboxamide Traditional Name: N-(1-phenethylpyrrolidin-3-yl)-9,10,10a,11-tetrahydro-5H-benzo[b][1]benzazepine-5-carboxamide Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=CC(C3=CC=CC=C3N2)C(=O)NC4CCN(C4)CCC5=CC=CC=C5)C=C1

Isomeric SMILES

C1CC2C(=CC(C3=CC=CC=C3N2)C(=O)NC4CCN(C4)CCC5=CC=CC=C5)C=C1

InChI

InChI=1S/C27H31N3O/c31-27(28-22-15-17-30(19-22)16-14-20-8-2-1-3-9-20)24-18-21-10-4-6-12-25(21)29-26-13-7-5-11-23(24)26/h1-5,7-11,13,18,22,24-25,29H,6,12,14-17,19H2,(H,28,31)