2-azanyl-N'-[3-[4-[dimethylamino(methyl)carbamoyl]-3-methyl-phenyl]prop-2-ynyl]benzenecarboximidamide

Systemtic Name: 2-azanyl-N'-[3-[4-[dimethylamino(methyl)carbamoyl]-3-methyl-phenyl]prop-2-ynyl]benzenecarboximidamide Openeye Name: 2-amino-N'-[3-[4-[dimethylamino(methyl)carbamoyl]-3-methyl-phenyl]prop-2-ynyl]benzamidine CAS Name: 2-amino-N'-[3-[4-[[dimethylamino(methyl)amino]-oxomethyl]-3-methylphenyl]prop-2-ynyl]benzenecarboximidamide IUPAC Name: 2-amino-N'-[3-[4-[dimethylamino(methyl)carbamoyl]-3-methylphenyl]prop-2-ynyl]benzenecarboximidamide Traditional Name: 2-amino-N'-[3-[4-[dimethylamino(methyl)carbamoyl]-3-methyl-phenyl]prop-2-ynyl]benzamidine Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCN=C(C2=CC=CC=C2N)N)C(=O)N(C)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN=C(C2=CC=CC=C2N)N)C(=O)N(C)N(C)C

InChI

InChI=1S/C21H25N5O/c1-15-14-16(11-12-17(15)21(27)26(4)25(2)3)8-7-13-24-20(23)18-9-5-6-10-19(18)22/h5-6,9-12,14H,13,22H2,1-4H3,(H2,23,24)