1-(phenylmethyl)-4-(propylamino)piperidine-4-carbonitrile hydrate

Systemtic Name: 1-(phenylmethyl)-4-(propylamino)piperidine-4-carbonitrile hydrate Openeye Name: 1-benzyl-4-(propylamino)piperidine-4-carbonitrile hydrate CAS Name: 1-(phenylmethyl)-4-(propylamino)-4-piperidinecarbonitrile hydrate IUPAC Name: 1-benzyl-4-(propylamino)piperidine-4-carbonitrile hydrate Traditional Name: 1-benzyl-4-(propylamino)isonipecotonitrile hydrate Formula: C16H25N3O MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1(CCN(CC1)CC2=CC=CC=C2)C#N.O

Isomeric SMILES

CCCNC1(CCN(CC1)CC2=CC=CC=C2)C#N.O

InChI

InChI=1S/C16H23N3.H2O/c1-2-10-18-16(14-17)8-11-19(12-9-16)13-15-6-4-3-5-7-15;/h3-7,18H,2,8-13H2,1H3;1H2