N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-(dimethylamino)-5-oxidanylidene-1-phenyl-pent-1-en-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-(dimethylamino)-5-oxidanylidene-1-phenyl-pent-1-en-3-yl]-4-phenyl-benzamide Openeye Name: N-[(E)-1-[1-[(3-carbamimidoylphenyl)methyl]-2-(dimethylamino)-2-oxo-ethyl]-3-phenyl-allyl]-4-phenyl-benzamide CAS Name: N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl]-4-phenylbenzamide IUPAC Name: N-[(E)-4-[(3-carbamimidoylphenyl)methyl]-5-(dimethylamino)-5-oxo-1-phenylpent-1-en-3-yl]-4-phenylbenzamide Traditional Name: N-[(E)-1-[1-(3-amidinobenzyl)-2-(dimethylamino)-2-keto-ethyl]-3-phenyl-allyl]-4-phenyl-benzamide Formula: C34H34N4O2 MolecularWeight: 530.65936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=CC(=C1)C(=N)N)C(/C=C/C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C34H34N4O2/c1-38(2)34(40)30(23-25-12-9-15-29(22-25)32(35)36)31(21-16-24-10-5-3-6-11-24)37-33(39)28-19-17-27(18-20-28)26-13-7-4-8-14-26/h3-22,30-31H,23H2,1-2H3,(H3,35,36)(H,37,39)/b21-16+