N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide hydrochloride

Systemtic Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide hydrochloride Openeye Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide hydrochloride CAS Name: N-[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide hydrochloride IUPAC Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide hydrochloride Traditional Name: N-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]benzamide hydrochloride Formula: C26H27ClN4O2 MolecularWeight: 462.97118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)N(C1)C(=O)CCC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C26H26N4O2.ClH/c27-25(28)19-11-8-18(9-12-19)10-15-24(31)30-16-4-7-21-17-22(13-14-23(21)30)29-26(32)20-5-2-1-3-6-20;/h1-3,5-6,8-9,11-14,17H,4,7,10,15-16H2,(H3,27,28)(H,29,32);1H