[4-[3-[(4-azanylcyclohexyl)amino]prop-1-ynyl]-2-methyl-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[3-[(4-azanylcyclohexyl)amino]prop-1-ynyl]-2-methyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[3-[(4-aminocyclohexyl)amino]prop-1-ynyl]-2-methyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[3-[(4-aminocyclohexyl)amino]prop-1-ynyl]-2-methylphenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[3-[(4-aminocyclohexyl)amino]prop-1-ynyl]-2-methylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[3-[(4-aminocyclohexyl)amino]prop-1-ynyl]-2-methyl-phenyl]-pyrrolidino-methanone Formula: C21H29N3O MolecularWeight: 339.47446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2CCC(CC2)N)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2CCC(CC2)N)C(=O)N3CCCC3

InChI

InChI=1S/C21H29N3O/c1-16-15-17(5-4-12-23-19-9-7-18(22)8-10-19)6-11-20(16)21(25)24-13-2-3-14-24/h6,11,15,18-19,23H,2-3,7-10,12-14,22H2,1H3