4-[4-(3-chlorophenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-8-ethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-8-ethoxy-5H-pyrimid[5,4-b]indole Formula: C22H22ClN5O MolecularWeight: 407.89598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C22H22ClN5O/c1-2-29-17-6-7-19-18(13-17)20-21(26-19)22(25-14-24-20)28-10-8-27(9-11-28)16-5-3-4-15(23)12-16/h3-7,12-14,26H,2,8-11H2,1H3