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

Systemtic Name: 5-[(2-butyl-6-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carbonitrile Openeye Name: 1-benzyl-5-[(2-butyl-6-methyl-4-oxo-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carbonitrile CAS Name: 5-[(2-butyl-6-methyl-4-oxo-3-quinazolinyl)methyl]-1-(phenylmethyl)-2,7a-dihydroindol-1-ium-1-carbonitrile IUPAC Name: 1-benzyl-5-[(2-butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carbonitrile Traditional Name: 1-benzyl-5-[(2-butyl-4-keto-6-methyl-quinazolin-3-yl)methyl]-2,7a-dihydroindol-1-ium-1-carbonitrile Formula: C30H31N4O+ MolecularWeight: 463.59334

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C30H31N4O/c1-3-4-10-29-32-27-13-11-22(2)17-26(27)30(35)33(29)19-24-12-14-28-25(18-24)15-16-34(28,21-31)20-23-8-6-5-7-9-23/h5-9,11-15,17-18,28H,3-4,10,16,19-20H2,1-2H3/q+1