[1-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3S)-1-(3-phenylpropyl)-3-piperidyl]triazol-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(3S)-1-(3-phenylpropyl)-3-piperidinyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[(3S)-1-(3-phenylpropyl)-3-piperidyl]triazol-4-yl]-piperidino-methanone Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(N=N2)C3CCCN(C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=N2)[C@H]3CCCN(C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H31N5O/c28-22(26-15-5-2-6-16-26)21-18-27(24-23-21)20-12-8-14-25(17-20)13-7-11-19-9-3-1-4-10-19/h1,3-4,9-10,18,20H,2,5-8,11-17H2/t20-/m0/s1