2-[(1R)-1-[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[[(1S)-1-(4-butylphenyl)-2-methyl-propyl]amino]ethyl]-1H-quinazolin-4-one Formula: C24H31N3O MolecularWeight: 377.52244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)NC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@H](C(C)C)N[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C24H31N3O/c1-5-6-9-18-12-14-19(15-13-18)22(16(2)3)25-17(4)23-26-21-11-8-7-10-20(21)24(28)27-23/h7-8,10-17,22,25H,5-6,9H2,1-4H3,(H,26,27,28)/t17-,22+/m1/s1