(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(m-tolyl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(3-methylphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(m-tolyl)prop-2-en-1-one Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H30N2O2/c1-18-7-6-8-19(17-18)9-10-21(25)23-15-11-20(12-16-23)22(26)24-13-4-2-3-5-14-24/h6-10,17,20H,2-5,11-16H2,1H3/b10-9+