4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-9-methyl-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]-9-methyl-5H-pyrimid[5,4-b]indole Formula: C28H26ClN5 MolecularWeight: 467.99254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)NC3=C2N=CN=C3N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=C(C=C6)Cl

InChI

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