(E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one

Systemtic Name: (E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one Openeye Name: (E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one CAS Name: (E)-2-butenedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one IUPAC Name: (E)-but-2-enedioate; 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrido[3,2-c]azepin-5-one Traditional Name: 8-(2-dimethylaminoethyl)-6-methyl-8,9-dihydro-7H-pyrid[3,2-c]azepin-5-one difumarate Formula: C22H25N3O9-4 MolecularWeight: 475.4486

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC2=C(C1=O)C=CC=N2)CCN(C)C.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(N=CC=C2)CC(C1)CCN(C)C.C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C14H21N3O.2C4H4O4/c1-16(2)8-6-11-9-13-12(5-4-7-15-13)14(18)17(3)10-11;2*5-3(6)1-2-4(7)8/h4-5,7,11H,6,8-10H2,1-3H3;2*1-2H,(H,5,6)(H,7,8)/p-4/b;2*2-1+