5-(2-chloroethyl)-1-cyclohexyl-1-methyl-7-(phenylmethyl)-2H-pyrimido[1,6-a]indole

Systemtic Name: 5-(2-chloroethyl)-1-cyclohexyl-1-methyl-7-(phenylmethyl)-2H-pyrimido[1,6-a]indole Openeye Name: 7-benzyl-5-(2-chloroethyl)-1-cyclohexyl-1-methyl-2H-pyrimido[1,6-a]indole CAS Name: 5-(2-chloroethyl)-1-cyclohexyl-1-methyl-7-(phenylmethyl)-2H-pyrimido[1,6-a]indole IUPAC Name: 7-benzyl-5-(2-chloroethyl)-1-cyclohexyl-1-methyl-2H-pyrimido[1,6-a]indole Traditional Name: 7-benzyl-5-(2-chloroethyl)-1-cyclohexyl-1-methyl-2H-pyrimid[1,6-a]indole Formula: C27H31ClN2 MolecularWeight: 419.00144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC=CC2=C(C3=C(N21)C=CC(=C3)CC4=CC=CC=C4)CCCl)C5CCCCC5

Isomeric SMILES

CC1(NC=CC2=C(C3=C(N21)C=CC(=C3)CC4=CC=CC=C4)CCCl)C5CCCCC5

InChI

InChI=1S/C27H31ClN2/c1-27(22-10-6-3-7-11-22)29-17-15-26-23(14-16-28)24-19-21(12-13-25(24)30(26)27)18-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,15,17,19,22,29H,3,6-7,10-11,14,16,18H2,1H3