propan-2-yl 4-[4-[3-(ethylcarbamoylamino)isoquinolin-4-yl]carbonylpiperazin-1-yl]piperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-[3-(ethylcarbamoylamino)isoquinolin-4-yl]carbonylpiperazin-1-yl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[4-[3-(ethylcarbamoylamino)isoquinoline-4-carbonyl]piperazin-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[3-(ethylcarbamoylamino)-4-isoquinolinyl]-oxomethyl]-1-piperazinyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-[3-(ethylcarbamoylamino)isoquinoline-4-carbonyl]piperazin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3-(ethylcarbamoylamino)isoquinoline-4-carbonyl]piperazino]piperidine-1-carboxylic acid isopropyl ester Formula: C26H36N6O4 MolecularWeight: 496.60184

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2C=N1)C(=O)N3CCN(CC3)C4CCN(CC4)C(=O)OC(C)C

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2C=N1)C(=O)N3CCN(CC3)C4CCN(CC4)C(=O)OC(C)C

InChI

InChI=1S/C26H36N6O4/c1-4-27-25(34)29-23-22(21-8-6-5-7-19(21)17-28-23)24(33)31-15-13-30(14-16-31)20-9-11-32(12-10-20)26(35)36-18(2)3/h5-8,17-18,20H,4,9-16H2,1-3H3,(H2,27,28,29,34)