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

Systemtic Name: 1-(azepan-1-yl)-4-(4-methylphenyl)phthalazine Openeye Name: 1-(azepan-1-yl)-4-(p-tolyl)phthalazine CAS Name: 1-(1-azepanyl)-4-(4-methylphenyl)phthalazine IUPAC Name: 1-(azepan-1-yl)-4-(4-methylphenyl)phthalazine Traditional Name: 1-(azepan-1-yl)-4-(p-tolyl)phthalazine Formula: C21H23N3 MolecularWeight: 317.42742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCCCCC4

InChI

InChI=1S/C21H23N3/c1-16-10-12-17(13-11-16)20-18-8-4-5-9-19(18)21(23-22-20)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-15H2,1H3