3-(3-carbamimidoylphenyl)-N-[(2,6-dimethylpiperidin-1-yl)methyl]-2-oxidanylidene-N-(2H-quinolin-1-yl)propanamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-N-[(2,6-dimethylpiperidin-1-yl)methyl]-2-oxidanylidene-N-(2H-quinolin-1-yl)propanamide Openeye Name: 3-(3-carbamimidoylphenyl)-N-[(2,6-dimethyl-1-piperidyl)methyl]-2-oxo-N-(2H-quinolin-1-yl)propanamide CAS Name: 3-(3-carbamimidoylphenyl)-N-[(2,6-dimethyl-1-piperidinyl)methyl]-2-oxo-N-(2H-quinolin-1-yl)propanamide IUPAC Name: 3-(3-carbamimidoylphenyl)-N-[(2,6-dimethylpiperidin-1-yl)methyl]-2-oxo-N-(2H-quinolin-1-yl)propanamide Traditional Name: 3-(3-amidinophenyl)-N-[(2,6-dimethylpiperidino)methyl]-2-keto-N-(2H-quinolin-1-yl)propionamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CN(C(=O)C(=O)CC2=CC=CC(=C2)C(=N)N)N3CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1CCCC(N1CN(C(=O)C(=O)CC2=CC=CC(=C2)C(=N)N)N3CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C27H33N5O2/c1-19-8-5-9-20(2)30(19)18-32(31-15-7-13-22-11-3-4-14-24(22)31)27(34)25(33)17-21-10-6-12-23(16-21)26(28)29/h3-4,6-7,10-14,16,19-20H,5,8-9,15,17-18H2,1-2H3,(H3,28,29)