N-[3-(3-carbamimidoylphenyl)-1-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-quinolin-7-yl]cyclohexanecarboxamide

Systemtic Name: N-[3-(3-carbamimidoylphenyl)-1-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxidanylidene-quinolin-7-yl]cyclohexanecarboxamide Openeye Name: N-[3-(3-carbamimidoylphenyl)-1-[5-(2,6-dimethyl-1-piperidyl)pentyl]-2-oxo-7-quinolyl]cyclohexanecarboxamide CAS Name: N-[3-(3-carbamimidoylphenyl)-1-[5-(2,6-dimethyl-1-piperidinyl)pentyl]-2-oxo-7-quinolinyl]cyclohexanecarboxamide IUPAC Name: N-[3-(3-carbamimidoylphenyl)-1-[5-(2,6-dimethylpiperidin-1-yl)pentyl]-2-oxoquinolin-7-yl]cyclohexanecarboxamide Traditional Name: N-[3-(3-amidinophenyl)-1-[5-(2,6-dimethylpiperidino)pentyl]-2-keto-7-quinolyl]cyclohexanecarboxamide Formula: C35H47N5O2 MolecularWeight: 569.77998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)NC(=O)C4CCCCC4)C=C(C2=O)C5=CC(=CC=C5)C(=N)N)C

Isomeric SMILES

CC1CCCC(N1CCCCCN2C3=C(C=CC(=C3)NC(=O)C4CCCCC4)C=C(C2=O)C5=CC(=CC=C5)C(=N)N)C

InChI

InChI=1S/C35H47N5O2/c1-24-11-9-12-25(2)39(24)19-7-4-8-20-40-32-23-30(38-34(41)26-13-5-3-6-14-26)18-17-28(32)22-31(35(40)42)27-15-10-16-29(21-27)33(36)37/h10,15-18,21-26H,3-9,11-14,19-20H2,1-2H3,(H3,36,37)(H,38,41)