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

Systemtic Name: (E)-but-2-enedioate; 5-(2-diethylaminoethyl)-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one Openeye Name: (E)-but-2-enedioate; 5-(2-diethylaminoethyl)-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one CAS Name: (E)-2-butenedioate; 5-(2-diethylaminoethyl)-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one IUPAC Name: (E)-but-2-enedioate; 5-(2-diethylaminoethyl)-8,9-dihydro-7H-pyrido[3,2-b]azepin-6-one Traditional Name: 5-(2-diethylaminoethyl)-8,9-dihydro-7H-pyrid[3,2-b]azepin-6-one fumarate Formula: C19H25N3O5-2 MolecularWeight: 375.4189

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)CCCC2=C1C=CC=N2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN(CC)CCN1C(=O)CCCC2=C1C=CC=N2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C15H23N3O.C4H4O4/c1-3-17(4-2)11-12-18-14-8-6-10-16-13(14)7-5-9-15(18)19;5-3(6)1-2-4(7)8/h6,8,10H,3-5,7,9,11-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+