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

Systemtic Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-benzamide Openeye Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-benzamide CAS Name: N-[1-[3-(4-carbamimidoylphenyl)-1-oxopropyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide IUPAC Name: N-[1-[3-(4-carbamimidoylphenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylbenzamide Traditional Name: N-[1-[3-(4-amidinophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methyl-benzamide Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C1=CC2=C(C=C1)N(CCC2)C(=O)CCC3=CC=C(C=C3)C(=N)N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-30(27(33)21-6-3-2-4-7-21)23-14-15-24-22(18-23)8-5-17-31(24)25(32)16-11-19-9-12-20(13-10-19)26(28)29/h2-4,6-7,9-10,12-15,18H,5,8,11,16-17H2,1H3,(H3,28,29)