3-azanyl-5-[5-[[1-(phenylmethyl)piperidin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[5-[[1-(phenylmethyl)piperidin-4-yl]amino]pentyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[5-[(1-benzyl-4-piperidyl)amino]pentyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[5-[[1-(phenylmethyl)-4-piperidinyl]amino]pentyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[5-[(1-benzylpiperidin-4-yl)amino]pentyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[5-[(1-benzyl-4-piperidyl)amino]pentyl]-1H-pyrazole-4-carbonitrile Formula: C21H30N6 MolecularWeight: 366.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NCCCCCC2=C(C(=NN2)N)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N6/c22-15-19-20(25-26-21(19)23)9-5-2-6-12-24-18-10-13-27(14-11-18)16-17-7-3-1-4-8-17/h1,3-4,7-8,18,24H,2,5-6,9-14,16H2,(H3,23,25,26)