(4aR)-2-azanyl-1-(4-butoxyphenyl)-4a,5,6,7-tetrahydroquinoline-3,4,4-tricarbonitrile

Systemtic Name: (4aR)-2-azanyl-1-(4-butoxyphenyl)-4a,5,6,7-tetrahydroquinoline-3,4,4-tricarbonitrile Openeye Name: (4aR)-2-amino-1-(4-butoxyphenyl)-4a,5,6,7-tetrahydroquinoline-3,4,4-tricarbonitrile CAS Name: (4aR)-2-amino-1-(4-butoxyphenyl)-4a,5,6,7-tetrahydroquinoline-3,4,4-tricarbonitrile IUPAC Name: (4aR)-2-amino-1-(4-butoxyphenyl)-4a,5,6,7-tetrahydroquinoline-3,4,4-tricarbonitrile Traditional Name: (4aR)-2-amino-1-(4-butoxyphenyl)-4a,5,6,7-tetrahydroquinoline-3,4,4-tricarbonitrile Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C3=CCCCC3C(C(=C2N)C#N)(C#N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C3=CCCC[C@@H]3C(C(=C2N)C#N)(C#N)C#N

InChI

InChI=1S/C22H23N5O/c1-2-3-12-28-17-10-8-16(9-11-17)27-20-7-5-4-6-18(20)22(14-24,15-25)19(13-23)21(27)26/h7-11,18H,2-6,12,26H2,1H3/t18-/m0/s1