4-[5-(2-chloroethyl)-4-methyl-pyrimido[1,6-a]indol-1-yl]-N,N-diethyl-butan-1-amine

Systemtic Name: 4-[5-(2-chloroethyl)-4-methyl-pyrimido[1,6-a]indol-1-yl]-N,N-diethyl-butan-1-amine Openeye Name: 4-[5-(2-chloroethyl)-4-methyl-pyrimido[1,6-a]indol-1-yl]-N,N-diethyl-butan-1-amine CAS Name: 4-[5-(2-chloroethyl)-4-methyl-1-pyrimido[1,6-a]indolyl]-N,N-diethyl-1-butanamine IUPAC Name: 4-[5-(2-chloroethyl)-4-methylpyrimido[1,6-a]indol-1-yl]-N,N-diethylbutan-1-amine Traditional Name: 4-[5-(2-chloroethyl)-4-methyl-pyrimid[1,6-a]indol-1-yl]butyl-diethyl-amine Formula: C22H30ClN3 MolecularWeight: 371.9467

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCC1=NC=C(C2=C(C3=CC=CC=C3N12)CCCl)C

Isomeric SMILES

CCN(CC)CCCCC1=NC=C(C2=C(C3=CC=CC=C3N12)CCCl)C

InChI

InChI=1S/C22H30ClN3/c1-4-25(5-2)15-9-8-12-21-24-16-17(3)22-19(13-14-23)18-10-6-7-11-20(18)26(21)22/h6-7,10-11,16H,4-5,8-9,12-15H2,1-3H3