4-(azepan-1-yl)-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(1-azepanyl)-7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C24H23ClN4 MolecularWeight: 402.91922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H23ClN4/c25-19-11-8-12-20(15-19)29-16-21(18-9-4-3-5-10-18)22-23(26-17-27-24(22)29)28-13-6-1-2-7-14-28/h3-5,8-12,15-17H,1-2,6-7,13-14H2