1-(phenylmethyl)-4-(propan-2-ylamino)piperidine-4-carbonitrile hydrate

Systemtic Name: 1-(phenylmethyl)-4-(propan-2-ylamino)piperidine-4-carbonitrile hydrate Openeye Name: 1-benzyl-4-(isopropylamino)piperidine-4-carbonitrile hydrate CAS Name: 1-(phenylmethyl)-4-(propan-2-ylamino)-4-piperidinecarbonitrile hydrate IUPAC Name: 1-benzyl-4-(propan-2-ylamino)piperidine-4-carbonitrile hydrate Traditional Name: 1-benzyl-4-(isopropylamino)isonipecotonitrile hydrate Formula: C16H25N3O MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1(CCN(CC1)CC2=CC=CC=C2)C#N.O

Isomeric SMILES

CC(C)NC1(CCN(CC1)CC2=CC=CC=C2)C#N.O

InChI

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