azepan-4-yl-[4-[4-(3-chlorophenyl)-1,2,3-triazol-1-yl]piperidin-1-yl]methanone

Systemtic Name: azepan-4-yl-[4-[4-(3-chlorophenyl)-1,2,3-triazol-1-yl]piperidin-1-yl]methanone Openeye Name: azepan-4-yl-[4-[4-(3-chlorophenyl)triazol-1-yl]-1-piperidyl]methanone CAS Name: 4-azepanyl-[4-[4-(3-chlorophenyl)-1-triazolyl]-1-piperidinyl]methanone IUPAC Name: azepan-4-yl-[4-[4-(3-chlorophenyl)triazol-1-yl]piperidin-1-yl]methanone Traditional Name: azepan-4-yl-[4-[4-(3-chlorophenyl)triazol-1-yl]piperidino]methanone Formula: C20H26ClN5O MolecularWeight: 387.90634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C(=O)N2CCC(CC2)N3C=C(N=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC(CCNC1)C(=O)N2CCC(CC2)N3C=C(N=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H26ClN5O/c21-17-5-1-3-16(13-17)19-14-26(24-23-19)18-7-11-25(12-8-18)20(27)15-4-2-9-22-10-6-15/h1,3,5,13-15,18,22H,2,4,6-12H2