3-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(E)-2-methyl-3-phenyl-allyl]-3-piperidyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidinyl]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(E)-2-methyl-3-phenyl-allyl]-3-piperidyl]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C27H36N4O MolecularWeight: 432.60094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H36N4O/c1-23(20-24-8-3-2-4-9-24)21-29-15-7-10-25(22-29)12-13-27(32)31-18-16-30(17-19-31)26-11-5-6-14-28-26/h2-6,8-9,11,14,20,25H,7,10,12-13,15-19,21-22H2,1H3/b23-20+