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

Systemtic Name: 6-[1,4-diazepan-1-yl(naphthalen-1-yl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl(1-naphthyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl(1-naphthalenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl(naphthalen-1-yl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl(1-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=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC5=CC=CC=C54

InChI

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