3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynoxy]benzenecarboximidamide

Systemtic Name: 3-[3-(3-methyl-4-pyrrolidin-1-ylcarbonyl-phenyl)prop-2-ynoxy]benzenecarboximidamide Openeye Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynoxy]benzamidine CAS Name: 3-[3-[3-methyl-4-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynoxy]benzenecarboximidamide IUPAC Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynoxy]benzenecarboximidamide Traditional Name: 3-[3-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynoxy]benzamidine Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCOC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCOC2=CC=CC(=C2)C(=N)N)C(=O)N3CCCC3

InChI

InChI=1S/C22H23N3O2/c1-16-14-17(9-10-20(16)22(26)25-11-2-3-12-25)6-5-13-27-19-8-4-7-18(15-19)21(23)24/h4,7-10,14-15H,2-3,11-13H2,1H3,(H3,23,24)