5-(2-chloroethyl)-1-hexyl-4-methyl-pyrimido[1,6-a]indole

Systemtic Name: 5-(2-chloroethyl)-1-hexyl-4-methyl-pyrimido[1,6-a]indole Openeye Name: 5-(2-chloroethyl)-1-hexyl-4-methyl-pyrimido[1,6-a]indole CAS Name: 5-(2-chloroethyl)-1-hexyl-4-methylpyrimido[1,6-a]indole IUPAC Name: 5-(2-chloroethyl)-1-hexyl-4-methylpyrimido[1,6-a]indole Traditional Name: 5-(2-chloroethyl)-1-hexyl-4-methyl-pyrimid[1,6-a]indole Formula: C20H25ClN2 MolecularWeight: 328.8789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=C(C2=C(C3=CC=CC=C3N12)CCCl)C

Isomeric SMILES

CCCCCCC1=NC=C(C2=C(C3=CC=CC=C3N12)CCCl)C

InChI

InChI=1S/C20H25ClN2/c1-3-4-5-6-11-19-22-14-15(2)20-17(12-13-21)16-9-7-8-10-18(16)23(19)20/h7-10,14H,3-6,11-13H2,1-2H3