9-chloranyl-4-[4-(phenylmethyl)piperidin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 9-chloranyl-4-[4-(phenylmethyl)piperidin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzyl-1-piperidyl)-9-chloro-5H-pyrimido[5,4-b]indole CAS Name: 9-chloro-4-[4-(phenylmethyl)-1-piperidinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzylpiperidin-1-yl)-9-chloro-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzylpiperidino)-9-chloro-5H-pyrimid[5,4-b]indole Formula: C22H21ClN4 MolecularWeight: 376.88194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=C4C(=CC=C5)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC=NC4=C3NC5=C4C(=CC=C5)Cl

InChI

InChI=1S/C22H21ClN4/c23-17-7-4-8-18-19(17)20-21(26-18)22(25-14-24-20)27-11-9-16(10-12-27)13-15-5-2-1-3-6-15/h1-8,14,16,26H,9-13H2