5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2,7a-dihydroindol-1-ium-1-carbonitrile

Systemtic Name: 5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2,7a-dihydroindol-1-ium-1-carbonitrile Openeye Name: 5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]-1-(m-tolylmethyl)-2,7a-dihydroindol-1-ium-1-carbonitrile CAS Name: 5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-1-[(3-methylphenyl)methyl]-2,7a-dihydroindol-1-ium-1-carbonitrile IUPAC Name: 5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2,7a-dihydroindol-1-ium-1-carbonitrile Traditional Name: 5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]-1-(3-methylbenzyl)-2,7a-dihydroindol-1-ium-1-carbonitrile Formula: C31H33N4O+ MolecularWeight: 477.61992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CC[N+](C4C=C3)(CC5=CC=CC(=C5)C)C#N

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)C)C(=O)N1CC3=CC4=CC[N+](C4C=C3)(CC5=CC=CC(=C5)C)C#N

InChI

InChI=1S/C31H33N4O/c1-4-5-9-30-33-28-12-10-23(3)17-27(28)31(36)34(30)19-24-11-13-29-26(18-24)14-15-35(29,21-32)20-25-8-6-7-22(2)16-25/h6-8,10-14,16-18,29H,4-5,9,15,19-20H2,1-3H3/q+1