N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(Z)-[(5E)-4-methyl-3,6-bis(oxidanylidene)-5-(phenylmethylidene)piperazin-2-ylidene]methyl]benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(Z)-[(5E)-4-methyl-3,6-bis(oxidanylidene)-5-(phenylmethylidene)piperazin-2-ylidene]methyl]benzamide Openeye Name: 4-[(Z)-[(5E)-5-benzylidene-4-methyl-3,6-dioxo-piperazin-2-ylidene]methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-[(Z)-[(5E)-4-methyl-3,6-dioxo-5-(phenylmethylene)-2-piperazinylidene]methyl]benzamide IUPAC Name: 4-[(Z)-[(5E)-5-benzylidene-4-methyl-3,6-dioxopiperazin-2-ylidene]methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Traditional Name: 4-[(Z)-[(5E)-5-benzal-3,6-diketo-4-methyl-piperazin-2-ylidene]methyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]benzamide Formula: C31H30N4O3 MolecularWeight: 506.5949

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC=CC=C2)C(=O)NC(=CC3=CC=C(C=C3)C(=O)NCCN4CCC5=CC=CC=C5C4)C1=O

Isomeric SMILES

CN1/C(=C/C2=CC=CC=C2)/C(=O)N/C(=C\C3=CC=C(C=C3)C(=O)NCCN4CCC5=CC=CC=C5C4)/C1=O

InChI

InChI=1S/C31H30N4O3/c1-34-28(20-22-7-3-2-4-8-22)30(37)33-27(31(34)38)19-23-11-13-25(14-12-23)29(36)32-16-18-35-17-15-24-9-5-6-10-26(24)21-35/h2-14,19-20H,15-18,21H2,1H3,(H,32,36)(H,33,37)/b27-19-,28-20+