(1S,3S)-N1-(7-methoxy-4-methyl-quinolin-2-yl)-N3-(pyrazin-2-ylmethyl)cyclohexane-1,3-diamine

Systemtic Name: (1S,3S)-N1-(7-methoxy-4-methyl-quinolin-2-yl)-N3-(pyrazin-2-ylmethyl)cyclohexane-1,3-diamine Openeye Name: (1S,3S)-N1-(7-methoxy-4-methyl-2-quinolyl)-N3-(pyrazin-2-ylmethyl)cyclohexane-1,3-diamine CAS Name: (1S,3S)-N1-(7-methoxy-4-methyl-2-quinolinyl)-N3-(2-pyrazinylmethyl)cyclohexane-1,3-diamine IUPAC Name: (1S,3S)-1-N-(7-methoxy-4-methylquinolin-2-yl)-3-N-(pyrazin-2-ylmethyl)cyclohexane-1,3-diamine Traditional Name: (7-methoxy-4-methyl-2-quinolyl)-[(1S,3S)-3-(pyrazin-2-ylmethylamino)cyclohexyl]amine Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCCC(C3)NCC4=NC=CN=C4

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N[C@H]3CCC[C@@H](C3)NCC4=NC=CN=C4

InChI

InChI=1S/C22H27N5O/c1-15-10-22(27-21-12-19(28-2)6-7-20(15)21)26-17-5-3-4-16(11-17)25-14-18-13-23-8-9-24-18/h6-10,12-13,16-17,25H,3-5,11,14H2,1-2H3,(H,26,27)/t16-,17-/m0/s1