4-chloranyl-3-[5-methyl-3-(4-pyrrolidin-1-ylbutylamino)-1,2,4-benzotriazin-7-yl]phenol

Systemtic Name: 4-chloranyl-3-[5-methyl-3-(4-pyrrolidin-1-ylbutylamino)-1,2,4-benzotriazin-7-yl]phenol Openeye Name: 4-chloro-3-[5-methyl-3-(4-pyrrolidin-1-ylbutylamino)-1,2,4-benzotriazin-7-yl]phenol CAS Name: 4-chloro-3-[5-methyl-3-[4-(1-pyrrolidinyl)butylamino]-1,2,4-benzotriazin-7-yl]phenol IUPAC Name: 4-chloro-3-[5-methyl-3-(4-pyrrolidin-1-ylbutylamino)-1,2,4-benzotriazin-7-yl]phenol Traditional Name: 4-chloro-3-[5-methyl-3-(4-pyrrolidinobutylamino)-1,2,4-benzotriazin-7-yl]phenol Formula: C22H26ClN5O MolecularWeight: 411.92774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C3=C(C=CC(=C3)O)Cl)N=NC(=N2)NCCCCN4CCCC4

Isomeric SMILES

CC1=C2C(=CC(=C1)C3=C(C=CC(=C3)O)Cl)N=NC(=N2)NCCCCN4CCCC4

InChI

InChI=1S/C22H26ClN5O/c1-15-12-16(18-14-17(29)6-7-19(18)23)13-20-21(15)25-22(27-26-20)24-8-2-3-9-28-10-4-5-11-28/h6-7,12-14,29H,2-5,8-11H2,1H3,(H,24,25,27)