N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

Systemtic Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide Openeye Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide CAS Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]benzamide IUPAC Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide Traditional Name: N-(2-diethylaminoethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(E)-3-phenylacryloyl]amino]benzamide Formula: C31H36N4O2 MolecularWeight: 496.64314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)C=CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)/C=C/C2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C31H36N4O2/c1-3-34(4-2)21-19-32-31(37)28-22-27(33-30(36)17-14-24-10-6-5-7-11-24)15-16-29(28)35-20-18-25-12-8-9-13-26(25)23-35/h5-17,22H,3-4,18-21,23H2,1-2H3,(H,32,37)(H,33,36)/b17-14+