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

Systemtic Name: 3-[[azepan-1-ylcarbonyl-(naphthalen-2-ylcarbonylamino)amino]methyl]benzenecarboximidamide Openeye Name: 3-[[azepane-1-carbonyl-(naphthalene-2-carbonylamino)amino]methyl]benzamidine CAS Name: 3-[[[1-azepanyl(oxo)methyl]-[[2-naphthalenyl(oxo)methyl]amino]amino]methyl]benzenecarboximidamide IUPAC Name: 3-[[azepane-1-carbonyl-(naphthalene-2-carbonylamino)amino]methyl]benzenecarboximidamide Traditional Name: 3-[[azepane-1-carbonyl-(2-naphthoylamino)amino]methyl]benzamidine Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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