4-[[6-[(4-cyanonaphthalen-1-yl)methylamino]hexylamino]methyl]naphthalene-1-carbonitrile; methanesulfonic acid

Systemtic Name: 4-[[6-[(4-cyanonaphthalen-1-yl)methylamino]hexylamino]methyl]naphthalene-1-carbonitrile; methanesulfonic acid Openeye Name: 4-[[6-[(4-cyano-1-naphthyl)methylamino]hexylamino]methyl]naphthalene-1-carbonitrile; methanesulfonic acid CAS Name: 4-[[6-[(4-cyano-1-naphthalenyl)methylamino]hexylamino]methyl]-1-naphthalenecarbonitrile; methanesulfonic acid IUPAC Name: 4-[[6-[(4-cyanonaphthalen-1-yl)methylamino]hexylamino]methyl]naphthalene-1-carbonitrile; methanesulfonic acid Traditional Name: 4-[[6-[(4-cyano-1-naphthyl)methylamino]hexylamino]methyl]naphthalene-1-carbonitrile; mesylic acid Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=CC=C(C2=C1)CNCCCCCCNCC3=CC=C(C4=CC=CC=C34)C#N)C#N

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=CC=C(C2=C1)CNCCCCCCNCC3=CC=C(C4=CC=CC=C34)C#N)C#N

InChI

InChI=1S/C30H30N4.CH4O3S/c31-19-23-13-15-25(29-11-5-3-9-27(23)29)21-33-17-7-1-2-8-18-34-22-26-16-14-24(20-32)28-10-4-6-12-30(26)28;1-5(2,3)4/h3-6,9-16,33-34H,1-2,7-8,17-18,21-22H2;1H3,(H,2,3,4)