2-azanyl-N'-[3-(3-methyl-4-pyrazolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]benzenecarboximidamide

Systemtic Name: 2-azanyl-N'-[3-(3-methyl-4-pyrazolidin-1-ylcarbonyl-phenyl)prop-2-ynyl]benzenecarboximidamide Openeye Name: 2-amino-N'-[3-[3-methyl-4-(pyrazolidine-1-carbonyl)phenyl]prop-2-ynyl]benzamidine CAS Name: 2-amino-N'-[3-[3-methyl-4-[oxo(1-pyrazolidinyl)methyl]phenyl]prop-2-ynyl]benzenecarboximidamide IUPAC Name: 2-amino-N'-[3-[3-methyl-4-(pyrazolidine-1-carbonyl)phenyl]prop-2-ynyl]benzenecarboximidamide Traditional Name: 2-amino-N'-[3-[3-methyl-4-(pyrazolidine-1-carbonyl)phenyl]prop-2-ynyl]benzamidine Formula: C21H23N5O MolecularWeight: 361.44022

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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)N3CCCN3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCN=C(C2=CC=CC=C2N)N)C(=O)N3CCCN3

InChI

InChI=1S/C21H23N5O/c1-15-14-16(9-10-17(15)21(27)26-13-5-12-25-26)6-4-11-24-20(23)18-7-2-3-8-19(18)22/h2-3,7-10,14,25H,5,11-13,22H2,1H3,(H2,23,24)