2-ethanoyl-1-isoquinolin-1-yl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile

Systemtic Name: 2-ethanoyl-1-isoquinolin-1-yl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile Openeye Name: 2-acetyl-1-(1-isoquinolyl)-3-(4-piperidylamino)pyrrolidine-2-carbonitrile CAS Name: 2-acetyl-1-(1-isoquinolinyl)-3-(4-piperidinylamino)-2-pyrrolidinecarbonitrile IUPAC Name: 2-acetyl-1-isoquinolin-1-yl-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile Traditional Name: 2-acetyl-1-(1-isoquinolyl)-3-(4-piperidylamino)pyrrolidine-2-carbonitrile Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(CCN1C2=NC=CC3=CC=CC=C32)NC4CCNCC4)C#N

Isomeric SMILES

CC(=O)C1(C(CCN1C2=NC=CC3=CC=CC=C32)NC4CCNCC4)C#N

InChI

InChI=1S/C21H25N5O/c1-15(27)21(14-22)19(25-17-7-10-23-11-8-17)9-13-26(21)20-18-5-3-2-4-16(18)6-12-24-20/h2-6,12,17,19,23,25H,7-11,13H2,1H3