N-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanamide

Systemtic Name: N-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanamide Openeye Name: N-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide CAS Name: N-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidinyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide IUPAC Name: N-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide Traditional Name: N-(3-amidinophenyl)-2-[6-[(1-amidino-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]acetamide Formula: C24H29N7O3 MolecularWeight: 463.53216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)NC4=CC=CC(=C4)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)NC4=CC=CC(=C4)C(=N)N)C(=N)N

InChI

InChI=1S/C24H29N7O3/c25-22(26)16-2-1-3-17(12-16)29-21(32)14-31-9-6-15-13-19(4-5-20(15)23(31)33)34-18-7-10-30(11-8-18)24(27)28/h1-5,12-13,18H,6-11,14H2,(H3,25,26)(H3,27,28)(H,29,32)