(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCCCC2C3=CC=CN3C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCCCC2C3=CC=CN3C)OC

InChI

InChI=1S/C21H27ClN2O3/c1-4-27-20-16(22)13-15(14-19(20)26-3)21(25)24-12-7-5-6-9-18(24)17-10-8-11-23(17)2/h8,10-11,13-14,18H,4-7,9,12H2,1-3H3