N-tert-butyl-3-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanamide

Systemtic Name: N-tert-butyl-3-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanamide Openeye Name: N-tert-butyl-3-(3-carbamimidoylphenyl)-2-[6-[(1-ethanimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide CAS Name: N-tert-butyl-3-(3-carbamimidoylphenyl)-2-[6-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide IUPAC Name: N-tert-butyl-3-(3-carbamimidoylphenyl)-2-[6-(1-ethanimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide Traditional Name: 2-[6-[(1-acetimidoyl-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]-3-(3-amidinophenyl)-N-tert-butyl-propionamide Formula: C30H40N6O3 MolecularWeight: 532.677

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)NC(C)(C)C

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)NC(C)(C)C

InChI

InChI=1S/C30H40N6O3/c1-19(31)35-13-11-23(12-14-35)39-24-8-9-25-21(18-24)10-15-36(29(25)38)26(28(37)34-30(2,3)4)17-20-6-5-7-22(16-20)27(32)33/h5-9,16,18,23,26,31H,10-15,17H2,1-4H3,(H3,32,33)(H,34,37)