2-[7-oxidanylidene-4-(1-phenylmethoxypropan-2-yl)-6-(phenylmethyl)-3,6-dihydro-2H-azepin-1-yl]propanamide

Systemtic Name: 2-[7-oxidanylidene-4-(1-phenylmethoxypropan-2-yl)-6-(phenylmethyl)-3,6-dihydro-2H-azepin-1-yl]propanamide Openeye Name: 2-[6-benzyl-4-(2-benzyloxy-1-methyl-ethyl)-7-oxo-3,6-dihydro-2H-azepin-1-yl]propanamide CAS Name: 2-[7-oxo-4-(1-phenylmethoxypropan-2-yl)-6-(phenylmethyl)-3,6-dihydro-2H-azepin-1-yl]propanamide IUPAC Name: 2-[6-benzyl-7-oxo-4-(1-phenylmethoxypropan-2-yl)-3,6-dihydro-2H-azepin-1-yl]propanamide Traditional Name: 2-[4-(2-benzoxy-1-methyl-ethyl)-6-benzyl-7-keto-3,6-dihydro-2H-azepin-1-yl]propionamide Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C2=CC(C(=O)N(CC2)C(C)C(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC(COCC1=CC=CC=C1)C2=CC(C(=O)N(CC2)C(C)C(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O3/c1-19(17-31-18-22-11-7-4-8-12-22)23-13-14-28(20(2)25(27)29)26(30)24(16-23)15-21-9-5-3-6-10-21/h3-12,16,19-20,24H,13-15,17-18H2,1-2H3,(H2,27,29)