N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine; methanesulfonic acid

Systemtic Name: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine; methanesulfonic acid Openeye Name: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine; methanesulfonic acid CAS Name: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine; methanesulfonic acid IUPAC Name: N-tert-butyl-7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-amine; methanesulfonic acid Traditional Name: tert-butyl-(7-phenyl-2,3-dihydro-1H-1,4-diazepin-5-yl)amine; mesylic acid Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=NCCNC(=C1)C2=CC=CC=C2.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)NC1=NCCNC(=C1)C2=CC=CC=C2.CS(=O)(=O)O

InChI

InChI=1S/C15H21N3.CH4O3S/c1-15(2,3)18-14-11-13(16-9-10-17-14)12-7-5-4-6-8-12;1-5(2,3)4/h4-8,11,16H,9-10H2,1-3H3,(H,17,18);1H3,(H,2,3,4)