N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]pyridine-3-carboxamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]pyridine-3-carboxamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]pyridine-3-carboxamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-3-pyridinecarboxamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]pyridine-3-carboxamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-ethyl]nicotinamide Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4)OC1

InChI

InChI=1S/C23H22N2O3/c26-23(19-8-4-11-24-16-19)25-20(14-17-6-2-1-3-7-17)18-9-10-21-22(15-18)28-13-5-12-27-21/h1-4,6-11,15-16,20H,5,12-14H2,(H,25,26)