[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloranyl-4-methoxy-thiophen-3-yl)methanone

Systemtic Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloranyl-4-methoxy-thiophen-3-yl)methanone Openeye Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]-1-piperidyl]-(5-chloro-4-methoxy-3-thienyl)methanone CAS Name: [4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-(5-chloro-4-methoxy-3-thiophenyl)methanone IUPAC Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-chloro-4-methoxythiophen-3-yl)methanone Traditional Name: [4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidino]-(5-chloro-4-methoxy-3-thienyl)methanone Formula: C21H21ClN6O2S MolecularWeight: 456.94844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC=C1C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)Cl

Isomeric SMILES

COC1=C(SC=C1C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)Cl

InChI

InChI=1S/C21H21ClN6O2S/c1-30-18-15(12-31-19(18)22)21(29)26-9-6-14(7-10-26)20-23-8-11-27(20)13-28-17-5-3-2-4-16(17)24-25-28/h2-5,8,11-12,14H,6-7,9-10,13H2,1H3