1-[(3-carbamimidoylphenyl)methyl]-6-oxidanylidene-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-6-oxidanylidene-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-6-oxo-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-6-oxo-5-[(3S)-3-pyrrolidinyl]-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-6-oxo-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide Traditional Name: 1-(3-amidinobenzyl)-6-keto-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C2=CC=CC(C2=O)(CC3=CC=CC(=C3)C(=N)N)C(=O)N

Isomeric SMILES

C1CNC[C@@H]1C2=CC=CC(C2=O)(CC3=CC=CC(=C3)C(=N)N)C(=O)N

InChI

InChI=1S/C19H22N4O2/c20-17(21)13-4-1-3-12(9-13)10-19(18(22)25)7-2-5-15(16(19)24)14-6-8-23-11-14/h1-5,7,9,14,23H,6,8,10-11H2,(H3,20,21)(H2,22,25)/t14-,19?/m1/s1