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

Systemtic Name: [2-methyl-4-[3-(pyridin-4-ylamino)prop-1-ynyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-methyl-4-[3-(4-pyridylamino)prop-1-ynyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-methyl-4-[3-(pyridin-4-ylamino)prop-1-ynyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-methyl-4-[3-(pyridin-4-ylamino)prop-1-ynyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-methyl-4-[3-(4-pyridylamino)prop-1-ynyl]phenyl]-pyrrolidino-methanone Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=NC=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=NC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H21N3O/c1-16-15-17(5-4-10-22-18-8-11-21-12-9-18)6-7-19(16)20(24)23-13-2-3-14-23/h6-9,11-12,15H,2-3,10,13-14H2,1H3,(H,21,22)