N-carbamimidoyl-4-methyl-N-(3-pyrrol-1-ylphenyl)carbonyl-piperazine-1-carboxamide dihydrochloride

Systemtic Name: N-carbamimidoyl-4-methyl-N-(3-pyrrol-1-ylphenyl)carbonyl-piperazine-1-carboxamide dihydrochloride Openeye Name: N-carbamimidoyl-4-methyl-N-(3-pyrrol-1-ylbenzoyl)piperazine-1-carboxamide dihydrochloride CAS Name: N-carbamimidoyl-4-methyl-N-[oxo-[3-(1-pyrrolyl)phenyl]methyl]-1-piperazinecarboxamide dihydrochloride IUPAC Name: N-carbamimidoyl-4-methyl-N-(3-pyrrol-1-ylbenzoyl)piperazine-1-carboxamide dihydrochloride Traditional Name: N-amidino-4-methyl-N-(3-pyrrol-1-ylbenzoyl)piperazine-1-carboxamide dihydrochloride Formula: C18H24Cl2N6O2 MolecularWeight: 427.32816

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)N(C(=O)C2=CC(=CC=C2)N3C=CC=C3)C(=N)N.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)N(C(=O)C2=CC(=CC=C2)N3C=CC=C3)C(=N)N.Cl.Cl

InChI

InChI=1S/C18H22N6O2.2ClH/c1-21-9-11-23(12-10-21)18(26)24(17(19)20)16(25)14-5-4-6-15(13-14)22-7-2-3-8-22;;/h2-8,13H,9-12H2,1H3,(H3,19,20);2*1H