(E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(6-chloranyl-2H-chromen-3-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(6-chloranyl-2H-chromen-3-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one CAS Name: (E)-1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-(6-chloro-2H-1-benzopyran-3-yl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepane-1-carbonyl)piperidino]-3-(6-chloro-2H-chromen-3-yl)prop-2-en-1-one Formula: C24H29ClN2O3 MolecularWeight: 428.95166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C=CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C24H29ClN2O3/c25-21-6-7-22-20(16-21)15-18(17-30-22)5-8-23(28)26-13-9-19(10-14-26)24(29)27-11-3-1-2-4-12-27/h5-8,15-16,19H,1-4,9-14,17H2/b8-5+