5-(2-chloroethyl)-1-cyclohexyl-3,4-dimethyl-7-nitro-pyrimido[1,6-a]indole

Systemtic Name: 5-(2-chloroethyl)-1-cyclohexyl-3,4-dimethyl-7-nitro-pyrimido[1,6-a]indole Openeye Name: 5-(2-chloroethyl)-1-cyclohexyl-3,4-dimethyl-7-nitro-pyrimido[1,6-a]indole CAS Name: 5-(2-chloroethyl)-1-cyclohexyl-3,4-dimethyl-7-nitropyrimido[1,6-a]indole IUPAC Name: 5-(2-chloroethyl)-1-cyclohexyl-3,4-dimethyl-7-nitropyrimido[1,6-a]indole Traditional Name: 5-(2-chloroethyl)-1-cyclohexyl-3,4-dimethyl-7-nitro-pyrimid[1,6-a]indole Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N2C1=C(C3=C2C=CC(=C3)[N+](=O)[O-])CCCl)C4CCCCC4)C

Isomeric SMILES

CC1=C(N=C(N2C1=C(C3=C2C=CC(=C3)[N+](=O)[O-])CCCl)C4CCCCC4)C

InChI

InChI=1S/C21H24ClN3O2/c1-13-14(2)23-21(15-6-4-3-5-7-15)24-19-9-8-16(25(26)27)12-18(19)17(10-11-22)20(13)24/h8-9,12,15H,3-7,10-11H2,1-2H3