2-[(3-carbamimidoylphenyl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-propanamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-oxidanyl-propanamide Openeye Name: 2-(3-carbamimidoylanilino)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-hydroxy-propanamide CAS Name: 2-(3-carbamimidoylanilino)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-hydroxypropanamide IUPAC Name: 2-(3-carbamimidoylanilino)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-hydroxypropanamide Traditional Name: 2-(3-amidinoanilino)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3-hydroxy-propionamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)C(CO)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CNC(=O)C(CO)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H25N5O3/c22-20(23)15-6-3-7-17(10-15)25-18(13-27)21(29)24-11-19(28)26-9-8-14-4-1-2-5-16(14)12-26/h1-7,10,18,25,27H,8-9,11-13H2,(H3,22,23)(H,24,29)