6-[1,4-diazepan-1-yl(naphthalen-2-yl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl(naphthalen-2-yl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl(2-naphthyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl(2-naphthalenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl(naphthalen-2-yl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl(2-naphthyl)methyl]isoquinoline Formula: C25H25N3 MolecularWeight: 367.4861

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H25N3/c1-2-5-20-16-22(7-6-19(20)4-1)25(28-14-3-11-26-13-15-28)23-8-9-24-18-27-12-10-21(24)17-23/h1-2,4-10,12,16-18,25-26H,3,11,13-15H2