azepan-1-yl-[1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[4-(1,2,4-triazol-1-ylmethyl)phenyl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]-4-piperidyl]methanone Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H29N5O2/c28-21(19-7-5-18(6-8-19)15-27-17-23-16-24-27)26-13-9-20(10-14-26)22(29)25-11-3-1-2-4-12-25/h5-8,16-17,20H,1-4,9-15H2