3-(3-chloranyl-2-methyl-phenyl)-2-[(1R)-1-(hexylamino)ethyl]quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-2-[(1R)-1-(hexylamino)ethyl]quinazolin-4-one Openeye Name: 3-(3-chloro-2-methyl-phenyl)-2-[(1R)-1-(hexylamino)ethyl]quinazolin-4-one CAS Name: 3-(3-chloro-2-methylphenyl)-2-[(1R)-1-(hexylamino)ethyl]-4-quinazolinone IUPAC Name: 3-(3-chloro-2-methylphenyl)-2-[(1R)-1-(hexylamino)ethyl]quinazolin-4-one Traditional Name: 3-(3-chloro-2-methyl-phenyl)-2-[(1R)-1-(hexylamino)ethyl]quinazolin-4-one Formula: C23H28ClN3O MolecularWeight: 397.94092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(C)C1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCCCCN[C@H](C)C1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C23H28ClN3O/c1-4-5-6-9-15-25-17(3)22-26-20-13-8-7-11-18(20)23(28)27(22)21-14-10-12-19(24)16(21)2/h7-8,10-14,17,25H,4-6,9,15H2,1-3H3/t17-/m1/s1