N-phenyl-1-propyl-N-(pyridin-3-ylmethylsulfinyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-phenyl-1-propyl-N-(pyridin-3-ylmethylsulfinyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-phenyl-1-propyl-N-(3-pyridylmethylsulfinyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-phenyl-1-propyl-N-(3-pyridinylmethylsulfinyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-phenyl-1-propyl-N-(pyridin-3-ylmethylsulfinyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-phenyl-1-propyl-N-(3-pyridylmethylsulfinyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC=C3)S(=O)CC4=CN=CC=C4

Isomeric SMILES

CCCN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC=C3)S(=O)CC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-2-16-28-17-14-23(18-22-10-6-7-13-25(22)28)26(30)29(24-11-4-3-5-12-24)32(31)20-21-9-8-15-27-19-21/h3-13,15,18-19H,2,14,16-17,20H2,1H3