4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C26H28N5+ MolecularWeight: 410.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C26H27N5/c1-20-9-11-21(12-10-20)19-30-14-5-15-31(17-16-30)26-23-7-2-3-8-24(23)28-25(29-26)22-6-4-13-27-18-22/h2-4,6-13,18H,5,14-17,19H2,1H3/p+1