1-[4-[(5-azanyl-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-4-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carbonitrile

Systemtic Name: 1-[4-[(5-azanyl-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-4-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carbonitrile Openeye Name: 1-[4-[[5-amino-1-(2-pyridyl)-1,2,4-triazol-3-yl]amino]phenyl]-4-(4-cyclopropylpiperazin-1-yl)cyclohexanecarbonitrile CAS Name: 1-[4-[[5-amino-1-(2-pyridinyl)-1,2,4-triazol-3-yl]amino]phenyl]-4-(4-cyclopropyl-1-piperazinyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-4-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-[4-[[5-amino-1-(2-pyridyl)-1,2,4-triazol-3-yl]amino]phenyl]-4-(4-cyclopropylpiperazino)cyclohexanecarbonitrile Formula: C27H33N9 MolecularWeight: 483.61122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCN(CC2)C3CCC(CC3)(C#N)C4=CC=C(C=C4)NC5=NN(C(=N5)N)C6=CC=CC=N6

Isomeric SMILES

C1CC1N2CCN(CC2)C3CCC(CC3)(C#N)C4=CC=C(C=C4)NC5=NN(C(=N5)N)C6=CC=CC=N6

InChI

InChI=1S/C27H33N9/c28-19-27(12-10-23(11-13-27)35-17-15-34(16-18-35)22-8-9-22)20-4-6-21(7-5-20)31-26-32-25(29)36(33-26)24-3-1-2-14-30-24/h1-7,14,22-23H,8-13,15-18H2,(H3,29,31,32,33)