[1-[(1-cyanocyclopropyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-[2-(4-methylpiperazin-1-yl)ethyl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium

Systemtic Name: [1-[(1-cyanocyclopropyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-[2-(4-methylpiperazin-1-yl)ethyl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium Openeye Name: [2-[(1-cyanocyclopropyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-[2-(4-methylpiperazin-1-yl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium CAS Name: [1-[(1-cyanocyclopropyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-[2-(4-methyl-1-piperazinyl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)ammonium IUPAC Name: [1-[(1-cyanocyclopropyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-[2-(4-methylpiperazin-1-yl)ethyl]-(2-oxo-1H-quinazolin-4-ylidene)azanium Traditional Name: [2-[(1-cyanocyclopropyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-(2-keto-1H-quinazolin-4-ylidene)-[2-(4-methylpiperazino)ethyl]ammonium Formula: C28H40N7O2+ MolecularWeight: 506.6629

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CC4CCCCC4)C(=O)NC5(CC5)C#N

Isomeric SMILES

CN1CCN(CC1)CC[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CC4CCCCC4)C(=O)NC5(CC5)C#N

InChI

InChI=1S/C28H39N7O2/c1-33-13-15-34(16-14-33)17-18-35(25-22-9-5-6-10-23(22)30-27(37)31-25)24(19-21-7-3-2-4-8-21)26(36)32-28(20-29)11-12-28/h5-6,9-10,21,24H,2-4,7-8,11-19H2,1H3,(H2,30,31,32,36,37)/p+1