methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]-3-methyl-pentanoate

Systemtic Name: methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]-3-methyl-valeric acid methyl ester Formula: C23H34N4O2 MolecularWeight: 398.54166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC1CCCN(CC1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC1CCCN(CC1)C2=NC3=C(C=CC(=C3)C)C(=N2)C

InChI

InChI=1S/C23H34N4O2/c1-6-16(3)21(22(28)29-5)25-18-8-7-12-27(13-11-18)23-24-17(4)19-10-9-15(2)14-20(19)26-23/h9-10,14,16,18,21,25H,6-8,11-13H2,1-5H3/t16-,18?,21-/m0/s1