(5R)-1-[(4-methylphenyl)methyl]-5-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(4-methylphenyl)methyl]-5-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)azepan-2-one Openeye Name: (5R)-1-(p-tolylmethyl)-5-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)azepan-2-one CAS Name: (5R)-1-[(4-methylphenyl)methyl]-5-[4-(4-quinazolinyl)-1-piperazin-1-iumyl]-2-azepanone IUPAC Name: (5R)-1-[(4-methylphenyl)methyl]-5-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)azepan-2-one Traditional Name: (5R)-1-(4-methylbenzyl)-5-(4-quinazolin-4-ylpiperazin-1-ium-1-yl)azepan-2-one Formula: C26H32N5O+ MolecularWeight: 430.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCC(CCC2=O)[NH+]3CCN(CC3)C4=NC=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[C@@H](CCC2=O)[NH+]3CCN(CC3)C4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C26H31N5O/c1-20-6-8-21(9-7-20)18-31-13-12-22(10-11-25(31)32)29-14-16-30(17-15-29)26-23-4-2-3-5-24(23)27-19-28-26/h2-9,19,22H,10-18H2,1H3/p+1/t22-/m1/s1