4-butyl-5-(2-chloroethyl)-1-methyl-3-(phenylmethyl)pyrimido[1,6-a]indole

Systemtic Name: 4-butyl-5-(2-chloroethyl)-1-methyl-3-(phenylmethyl)pyrimido[1,6-a]indole Openeye Name: 3-benzyl-4-butyl-5-(2-chloroethyl)-1-methyl-pyrimido[1,6-a]indole CAS Name: 4-butyl-5-(2-chloroethyl)-1-methyl-3-(phenylmethyl)pyrimido[1,6-a]indole IUPAC Name: 3-benzyl-4-butyl-5-(2-chloroethyl)-1-methylpyrimido[1,6-a]indole Traditional Name: 3-benzyl-4-butyl-5-(2-chloroethyl)-1-methyl-pyrimid[1,6-a]indole Formula: C25H27ClN2 MolecularWeight: 390.94828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N2C1=C(C3=CC=CC=C32)CCCl)C)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C(N=C(N2C1=C(C3=CC=CC=C32)CCCl)C)CC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN2/c1-3-4-12-22-23(17-19-10-6-5-7-11-19)27-18(2)28-24-14-9-8-13-20(24)21(15-16-26)25(22)28/h5-11,13-14H,3-4,12,15-17H2,1-2H3