3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4-piperidin-1-yl-benzamide

Systemtic Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4-piperidin-1-yl-benzamide Openeye Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4-(1-piperidyl)benzamide CAS Name: 3-[[(E)-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]-4-(1-piperidinyl)benzamide IUPAC Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4-piperidin-1-ylbenzamide Traditional Name: 3-[[(E)-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]amino]-4-piperidino-benzamide Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)NC(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C26H27N5O2/c27-13-6-16-31-18-20(21-7-2-3-8-23(21)31)10-12-25(32)29-22-17-19(26(28)33)9-11-24(22)30-14-4-1-5-15-30/h2-3,7-12,17-18H,1,4-6,14-16H2,(H2,28,33)(H,29,32)/b12-10+