azepan-1-yl-[2-(4-propoxyphenyl)quinolin-4-yl]methanone

Systemtic Name: azepan-1-yl-[2-(4-propoxyphenyl)quinolin-4-yl]methanone Openeye Name: azepan-1-yl-[2-(4-propoxyphenyl)-4-quinolyl]methanone CAS Name: 1-azepanyl-[2-(4-propoxyphenyl)-4-quinolinyl]methanone IUPAC Name: azepan-1-yl-[2-(4-propoxyphenyl)quinolin-4-yl]methanone Traditional Name: azepan-1-yl-[2-(4-propoxyphenyl)-4-quinolyl]methanone Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H28N2O2/c1-2-17-29-20-13-11-19(12-14-20)24-18-22(21-9-5-6-10-23(21)26-24)25(28)27-15-7-3-4-8-16-27/h5-6,9-14,18H,2-4,7-8,15-17H2,1H3