cyclohexyl-[[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl]-prop-2-ynyl-azanium

Systemtic Name: cyclohexyl-[[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl]-prop-2-ynyl-azanium Openeye Name: [4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-cyclohexyl-prop-2-ynyl-ammonium CAS Name: [4-(4-acetyl-1,4-diazepan-1-yl)-2-quinazolinyl]methyl-cyclohexyl-prop-2-ynylammonium IUPAC Name: [4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-cyclohexyl-prop-2-ynylazanium Traditional Name: [4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl-cyclohexyl-propargyl-ammonium Formula: C25H34N5O+ MolecularWeight: 420.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C[NH+](CC#C)C4CCCCC4

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C[NH+](CC#C)C4CCCCC4

InChI

InChI=1S/C25H33N5O/c1-3-14-30(21-10-5-4-6-11-21)19-24-26-23-13-8-7-12-22(23)25(27-24)29-16-9-15-28(17-18-29)20(2)31/h1,7-8,12-13,21H,4-6,9-11,14-19H2,2H3/p+1