2-[[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4-piperidyl]amino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[1-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-4-piperidinyl]amino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[1-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[1-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-4-piperidyl]amino]-1-pyrrolidino-propan-1-one Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)NC2CCN(CC2)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)N1CCCC1)NC2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H29N3O4/c1-16(22(27)25-10-2-3-11-25)23-18-8-12-24(13-9-18)21(26)7-5-17-4-6-19-20(14-17)29-15-28-19/h4-7,14,16,18,23H,2-3,8-13,15H2,1H3/b7-5+