1-(azepan-1-yl)-4-(4-chlorophenyl)phthalazine

Systemtic Name: 1-(azepan-1-yl)-4-(4-chlorophenyl)phthalazine Openeye Name: 1-(azepan-1-yl)-4-(4-chlorophenyl)phthalazine CAS Name: 1-(1-azepanyl)-4-(4-chlorophenyl)phthalazine IUPAC Name: 1-(azepan-1-yl)-4-(4-chlorophenyl)phthalazine Traditional Name: 1-(azepan-1-yl)-4-(4-chlorophenyl)phthalazine Formula: C20H20ClN3 MolecularWeight: 337.8459

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3/c21-16-11-9-15(10-12-16)19-17-7-3-4-8-18(17)20(23-22-19)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-14H2