[1-[(1-cyanocyclopentyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium

Systemtic Name: [1-[(1-cyanocyclopentyl)amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-(2-oxidanylidene-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium Openeye Name: [2-[(1-cyanocyclopentyl)amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-(2-oxo-1H-quinazolin-4-ylidene)-[1-(4-piperidyl)ethyl]ammonium CAS Name: [1-[(1-cyanocyclopentyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-(2-oxo-1H-quinazolin-4-ylidene)-[1-(4-piperidinyl)ethyl]ammonium IUPAC Name: [1-[(1-cyanocyclopentyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-(2-oxo-1H-quinazolin-4-ylidene)-(1-piperidin-4-ylethyl)azanium Traditional Name: [2-[(1-cyanocyclopentyl)amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-(2-keto-1H-quinazolin-4-ylidene)-[1-(4-piperidyl)ethyl]ammonium Formula: C30H43N6O2+ MolecularWeight: 519.70142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCNCC1)[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CC4CCCCC4)C(=O)NC5(CCCC5)C#N

Isomeric SMILES

CC(C1CCNCC1)[N+](=C2C3=CC=CC=C3NC(=O)N2)C(CC4CCCCC4)C(=O)NC5(CCCC5)C#N

InChI

InChI=1S/C30H42N6O2/c1-21(23-13-17-32-18-14-23)36(27-24-11-5-6-12-25(24)33-29(38)34-27)26(19-22-9-3-2-4-10-22)28(37)35-30(20-31)15-7-8-16-30/h5-6,11-12,21-23,26,32H,2-4,7-10,13-19H2,1H3,(H2,33,34,35,37,38)/p+1