N-[bis(azanyl)methylidene]-9-propan-2-yl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-9-propan-2-yl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-9-isopropyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-9-propan-2-yl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-9-propan-2-yl-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-9-isopropyl-8,9-dihydro-7H-benzocycloheptene-6-carboxamide; mesylic acid Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(=CC2=CC=CC=C12)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC(C)C1CCC(=CC2=CC=CC=C12)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C16H21N3O.CH4O3S/c1-10(2)13-8-7-12(15(20)19-16(17)18)9-11-5-3-4-6-14(11)13;1-5(2,3)4/h3-6,9-10,13H,7-8H2,1-2H3,(H4,17,18,19,20);1H3,(H,2,3,4)