tert-butyl carbamate; 2-[4-(3-methylazetidin-1-yl)piperidin-1-yl]benzenecarbonitrile

Systemtic Name: tert-butyl carbamate; 2-[4-(3-methylazetidin-1-yl)piperidin-1-yl]benzenecarbonitrile Openeye Name: tert-butyl carbamate; 2-[4-(3-methylazetidin-1-yl)-1-piperidyl]benzonitrile CAS Name: carbamic acid tert-butyl ester; 2-[4-(3-methyl-1-azetidinyl)-1-piperidinyl]benzonitrile IUPAC Name: tert-butyl carbamate; 2-[4-(3-methylazetidin-1-yl)piperidin-1-yl]benzonitrile Traditional Name: carbamic acid tert-butyl ester; 2-[4-(3-methylazetidin-1-yl)piperidino]benzonitrile Formula: C21H32N4O2 MolecularWeight: 372.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C1)C2CCN(CC2)C3=CC=CC=C3C#N.CC(C)(C)OC(=O)N

Isomeric SMILES

CC1CN(C1)C2CCN(CC2)C3=CC=CC=C3C#N.CC(C)(C)OC(=O)N

InChI

InChI=1S/C16H21N3.C5H11NO2/c1-13-11-19(12-13)15-6-8-18(9-7-15)16-5-3-2-4-14(16)10-17;1-5(2,3)8-4(6)7/h2-5,13,15H,6-9,11-12H2,1H3;1-3H3,(H2,6,7)