4-carbamimidoyl-N,2,5-trimethyl-3-phenyl-6-(prop-2-ynylamino)-N-pyridin-2-yl-benzamide

Systemtic Name: 4-carbamimidoyl-N,2,5-trimethyl-3-phenyl-6-(prop-2-ynylamino)-N-pyridin-2-yl-benzamide Openeye Name: 4-carbamimidoyl-N,2,5-trimethyl-3-phenyl-6-(prop-2-ynylamino)-N-(2-pyridyl)benzamide CAS Name: 4-carbamimidoyl-N,2,5-trimethyl-3-phenyl-6-(prop-2-ynylamino)-N-(2-pyridinyl)benzamide IUPAC Name: 4-carbamimidoyl-N,2,5-trimethyl-3-phenyl-6-(prop-2-ynylamino)-N-pyridin-2-ylbenzamide Traditional Name: 4-amidino-N,2,5-trimethyl-3-phenyl-6-(propargylamino)-N-(2-pyridyl)benzamide Formula: C25H25N5O MolecularWeight: 411.4989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=N)N)C)NCC#C)C(=O)N(C)C3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=N)N)C)NCC#C)C(=O)N(C)C3=CC=CC=N3

InChI

InChI=1S/C25H25N5O/c1-5-14-29-23-17(3)21(24(26)27)20(18-11-7-6-8-12-18)16(2)22(23)25(31)30(4)19-13-9-10-15-28-19/h1,6-13,15,29H,14H2,2-4H3,(H3,26,27)