[1-[(1-cyanocyclohexyl)amino]-3-cycloheptyl-1-oxidanylidene-propan-2-yl]-(1-methylpiperidin-4-yl)-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-3-cycloheptyl-1-oxidanylidene-propan-2-yl]-(1-methylpiperidin-4-yl)-(2-oxidanylidene-1H-quinazolin-4-ylidene)azanium Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-(cycloheptylmethyl)-2-oxo-ethyl]-(1-methyl-4-piperidyl)-(2-oxo-1H-quinazolin-4-ylidene)ammonium CAS Name: [1-[(1-cyanocyclohexyl)amino]-3-cycloheptyl-1-oxopropan-2-yl]-(1-methyl-4-piperidinyl)-(2-oxo-1H-quinazolin-4-ylidene)ammonium IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-3-cycloheptyl-1-oxopropan-2-yl]-(1-methylpiperidin-4-yl)-(2-oxo-1H-quinazolin-4-ylidene)azanium Traditional Name: [2-[(1-cyanocyclohexyl)amino]-1-(cycloheptylmethyl)-2-keto-ethyl]-(2-keto-1H-quinazolin-4-ylidene)-(1-methyl-4-piperidyl)ammonium Formula: C31H45N6O2+ MolecularWeight: 533.728

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CC4CCCCCC4)C(=O)NC5(CCCCC5)C#N

Isomeric SMILES

CN1CCC(CC1)[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CC4CCCCCC4)C(=O)NC5(CCCCC5)C#N

InChI

InChI=1S/C31H44N6O2/c1-36-19-15-24(16-20-36)37(28-25-13-7-8-14-26(25)33-30(39)34-28)27(21-23-11-5-2-3-6-12-23)29(38)35-31(22-32)17-9-4-10-18-31/h7-8,13-14,23-24,27H,2-6,9-12,15-21H2,1H3,(H2,33,34,35,38,39)/p+1