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

Systemtic Name: 4-butyl-5-(2-chloroethyl)-1-cyclohexyl-3-(phenylmethyl)pyrimido[1,6-a]indole Openeye Name: 3-benzyl-4-butyl-5-(2-chloroethyl)-1-cyclohexyl-pyrimido[1,6-a]indole CAS Name: 4-butyl-5-(2-chloroethyl)-1-cyclohexyl-3-(phenylmethyl)pyrimido[1,6-a]indole IUPAC Name: 3-benzyl-4-butyl-5-(2-chloroethyl)-1-cyclohexylpyrimido[1,6-a]indole Traditional Name: 3-benzyl-4-butyl-5-(2-chloroethyl)-1-cyclohexyl-pyrimid[1,6-a]indole Formula: C30H35ClN2 MolecularWeight: 459.0653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(N2C1=C(C3=CC=CC=C32)CCCl)C4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=C(N=C(N2C1=C(C3=CC=CC=C32)CCCl)C4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H35ClN2/c1-2-3-16-26-27(21-22-12-6-4-7-13-22)32-30(23-14-8-5-9-15-23)33-28-18-11-10-17-24(28)25(19-20-31)29(26)33/h4,6-7,10-13,17-18,23H,2-3,5,8-9,14-16,19-21H2,1H3