N-[1-[5-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-ethanamide

Systemtic Name: N-[1-[5-[3-(3-carbamimidoylphenyl)-2-oxidanylidene-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-ethanamide Openeye Name: N-[1-[5-[3-(3-carbamimidoylphenyl)-2-oxo-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-acetamide CAS Name: N-[1-[5-[3-(3-carbamimidoylphenyl)-2-oxo-1-quinoxalinyl]pentyl]-3-pyrrolidinyl]-N-methylacetamide IUPAC Name: N-[1-[5-[3-(3-carbamimidoylphenyl)-2-oxoquinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methylacetamide Traditional Name: N-[1-[5-[3-(3-amidinophenyl)-2-keto-quinoxalin-1-yl]pentyl]pyrrolidin-3-yl]-N-methyl-acetamide Formula: C27H34N6O2 MolecularWeight: 474.59786

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1CCN(C1)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CC(=O)N(C)C1CCN(C1)CCCCCN2C3=CC=CC=C3N=C(C2=O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C27H34N6O2/c1-19(34)31(2)22-13-16-32(18-22)14-6-3-7-15-33-24-12-5-4-11-23(24)30-25(27(33)35)20-9-8-10-21(17-20)26(28)29/h4-5,8-12,17,22H,3,6-7,13-16,18H2,1-2H3,(H3,28,29)