3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-[[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-[[(E)-3-(2,4-dimethylphenyl)acryloyl]amino]-4-pyrrolidino-benzamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)N)N3CCCC3)C

InChI

InChI=1S/C22H25N3O2/c1-15-5-6-17(16(2)13-15)8-10-21(26)24-19-14-18(22(23)27)7-9-20(19)25-11-3-4-12-25/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,23,27)(H,24,26)/b10-8+