3-(3-chloranyl-4-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one CAS Name: 3-(3-chloro-4-methylphenyl)-1-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[2-(1-methylpyrrol-2-yl)azepan-1-yl]propan-1-one Formula: C21H27ClN2O MolecularWeight: 358.90488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)N2CCCCCC2C3=CC=CN3C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)N2CCCCCC2C3=CC=CN3C)Cl

InChI

InChI=1S/C21H27ClN2O/c1-16-9-10-17(15-18(16)22)11-12-21(25)24-14-5-3-4-7-20(24)19-8-6-13-23(19)2/h6,8-10,13,15,20H,3-5,7,11-12,14H2,1-2H3