4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylcarbonylamino)amino]methyl]benzenecarboximidamide hydrochloride

Systemtic Name: 4-[[azepan-1-ylcarbonyl-(naphthalen-2-ylcarbonylamino)amino]methyl]benzenecarboximidamide hydrochloride Openeye Name: 4-[[azepane-1-carbonyl-(naphthalene-2-carbonylamino)amino]methyl]benzamidine hydrochloride CAS Name: 4-[[[1-azepanyl(oxo)methyl]-[[2-naphthalenyl(oxo)methyl]amino]amino]methyl]benzenecarboximidamide hydrochloride IUPAC Name: 4-[[azepane-1-carbonyl-(naphthalene-2-carbonylamino)amino]methyl]benzenecarboximidamide hydrochloride Traditional Name: 4-[[azepane-1-carbonyl-(2-naphthoylamino)amino]methyl]benzamidine hydrochloride Formula: C26H30ClN5O2 MolecularWeight: 480.0017

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)C3=CC4=CC=CC=C4C=C3.Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)N(CC2=CC=C(C=C2)C(=N)N)NC(=O)C3=CC4=CC=CC=C4C=C3.Cl

InChI

InChI=1S/C26H29N5O2.ClH/c27-24(28)21-11-9-19(10-12-21)18-31(26(33)30-15-5-1-2-6-16-30)29-25(32)23-14-13-20-7-3-4-8-22(20)17-23;/h3-4,7-14,17H,1-2,5-6,15-16,18H2,(H3,27,28)(H,29,32);1H