2-(azetidin-1-yl)-5-cyclohexyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine

Systemtic Name: 2-(azetidin-1-yl)-5-cyclohexyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine Openeye Name: 2-(azetidin-1-yl)-5-cyclohexyl-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepine CAS Name: 2-(1-azetidinyl)-5-cyclohexyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine IUPAC Name: 2-(azetidin-1-yl)-5-cyclohexyl-3-thiophen-2-yl-3H-pyrido[2,3-e][1,4]diazepine Traditional Name: 2-(azetidin-1-yl)-5-cyclohexyl-3-(2-thienyl)-3H-pyrido[2,3-e][1,4]diazepine Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(C(=NC3=C2C=CC=N3)N4CCC4)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)C2=NC(C(=NC3=C2C=CC=N3)N4CCC4)C5=CC=CS5

InChI

InChI=1S/C21H24N4S/c1-2-7-15(8-3-1)18-16-9-4-11-22-20(16)24-21(25-12-6-13-25)19(23-18)17-10-5-14-26-17/h4-5,9-11,14-15,19H,1-3,6-8,12-13H2