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

Systemtic Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-6-oxidanylidene-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide Openeye Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-6-oxo-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide CAS Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-6-oxo-5-[(3S)-3-pyrrolidinyl]-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: 1-[(3-carbamimidoylphenyl)methyl]-4-methyl-6-oxo-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide Traditional Name: 1-(3-amidinobenzyl)-6-keto-4-methyl-5-[(3S)-pyrrolidin-3-yl]cyclohexa-2,4-diene-1-carboxamide Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C=C1)(CC2=CC=CC(=C2)C(=N)N)C(=O)N)C3CCNC3

Isomeric SMILES

CC1=C(C(=O)C(C=C1)(CC2=CC=CC(=C2)C(=N)N)C(=O)N)[C@@H]3CCNC3

InChI

InChI=1S/C20H24N4O2/c1-12-5-7-20(19(23)26,17(25)16(12)15-6-8-24-11-15)10-13-3-2-4-14(9-13)18(21)22/h2-5,7,9,15,24H,6,8,10-11H2,1H3,(H3,21,22)(H2,23,26)/t15-,20?/m1/s1