propan-2-yl 3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pent-4-ynoate

Systemtic Name: propan-2-yl 3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]pent-4-ynoate Openeye Name: isopropyl 3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate CAS Name: 3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]-4-pentynoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoate Traditional Name: 3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]pent-4-ynoic acid isopropyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C#C)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

CC(C)OC(=O)CC(C#C)NC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C23H30N4O4/c1-4-18(13-22(29)31-16(2)3)25-21(28)15-27-10-7-17-5-6-19(14-20(17)23(27)30)26-11-8-24-9-12-26/h1,5-6,14,16,18,24H,7-13,15H2,2-3H3,(H,25,28)