(E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(4-pyridylmethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-[4-(4-pyridylmethyl)piperazino]prop-2-en-1-one Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C25H28N4O/c1-20-18-23(21(2)29(20)24-6-4-3-5-7-24)8-9-25(30)28-16-14-27(15-17-28)19-22-10-12-26-13-11-22/h3-13,18H,14-17,19H2,1-2H3/b9-8+