(2R,6S)-1-(4-azanylbutyl)-2,6-bis(3-methylpyridin-2-yl)piperidine-4-carbonitrile

Systemtic Name: (2R,6S)-1-(4-azanylbutyl)-2,6-bis(3-methylpyridin-2-yl)piperidine-4-carbonitrile Openeye Name: (2R,6S)-1-(4-aminobutyl)-2,6-bis(3-methyl-2-pyridyl)piperidine-4-carbonitrile CAS Name: (2R,6S)-1-(4-aminobutyl)-2,6-bis(3-methyl-2-pyridinyl)-4-piperidinecarbonitrile IUPAC Name: (2R,6S)-1-(4-aminobutyl)-2,6-bis(3-methylpyridin-2-yl)piperidine-4-carbonitrile Traditional Name: (2R,6S)-1-(4-aminobutyl)-2,6-bis(3-methyl-2-pyridyl)isonipecotonitrile Formula: C22H29N5 MolecularWeight: 363.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CC(CC(N2CCCCN)C3=C(C=CC=N3)C)C#N

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CC(C[C@H](N2CCCCN)C3=C(C=CC=N3)C)C#N

InChI

InChI=1S/C22H29N5/c1-16-7-5-10-25-21(16)19-13-18(15-24)14-20(27(19)12-4-3-9-23)22-17(2)8-6-11-26-22/h5-8,10-11,18-20H,3-4,9,12-14,23H2,1-2H3/t18?,19-,20+