4-[2-azanyl-3-(1-methylindol-5-yl)imidazol-4-yl]-6-propan-2-yl-benzene-1,3-diol

Systemtic Name: 4-[2-azanyl-3-(1-methylindol-5-yl)imidazol-4-yl]-6-propan-2-yl-benzene-1,3-diol Openeye Name: 4-[2-amino-3-(1-methylindol-5-yl)imidazol-4-yl]-6-isopropyl-benzene-1,3-diol CAS Name: 4-[2-amino-3-(1-methyl-5-indolyl)-4-imidazolyl]-6-propan-2-ylbenzene-1,3-diol IUPAC Name: 4-[2-amino-3-(1-methylindol-5-yl)imidazol-4-yl]-6-propan-2-ylbenzene-1,3-diol Traditional Name: 4-[2-amino-3-(1-methylindol-5-yl)imidazol-4-yl]-6-isopropyl-resorcinol Formula: C21H22N4O2 MolecularWeight: 362.42498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C(=C1)C2=CN=C(N2C3=CC4=C(C=C3)N(C=C4)C)N)O)O

Isomeric SMILES

CC(C)C1=C(C=C(C(=C1)C2=CN=C(N2C3=CC4=C(C=C3)N(C=C4)C)N)O)O

InChI

InChI=1S/C21H22N4O2/c1-12(2)15-9-16(20(27)10-19(15)26)18-11-23-21(22)25(18)14-4-5-17-13(8-14)6-7-24(17)3/h4-12,26-27H,1-3H3,(H2,22,23)