4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-7-methyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-7-methyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-7-methyl-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-7-methyl-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-7-methyl-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-7-methyl-5H-pyrimid[5,4-b]indole Formula: C28H26ClN5 MolecularWeight: 467.99254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C28H26ClN5/c1-19-7-12-23-24(17-19)32-26-25(23)30-18-31-28(26)34-15-13-33(14-16-34)27(20-5-3-2-4-6-20)21-8-10-22(29)11-9-21/h2-12,17-18,27,32H,13-16H2,1H3