1-[4-(1-phenethylpyrrolidin-3-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Systemtic Name: 1-[4-(1-phenethylpyrrolidin-3-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Openeye Name: 1-[4-(1-phenethylpyrrolidin-3-yl)-1-piperidyl]-4-(1,2,4-triazol-1-yl)butan-1-one CAS Name: 1-[4-(1-phenethyl-3-pyrrolidinyl)-1-piperidinyl]-4-(1,2,4-triazol-1-yl)-1-butanone IUPAC Name: 1-[4-(1-phenethylpyrrolidin-3-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one Traditional Name: 1-[4-(1-phenethylpyrrolidin-3-yl)piperidino]-4-(1,2,4-triazol-1-yl)butan-1-one Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(C2)CCC3=CC=CC=C3)C(=O)CCCN4C=NC=N4

Isomeric SMILES

C1CN(CCC1C2CCN(C2)CCC3=CC=CC=C3)C(=O)CCCN4C=NC=N4

InChI

InChI=1S/C23H33N5O/c29-23(7-4-12-28-19-24-18-25-28)27-15-10-21(11-16-27)22-9-14-26(17-22)13-8-20-5-2-1-3-6-20/h1-3,5-6,18-19,21-22H,4,7-17H2