(E)-but-2-enedioate; N-(1-ethylazepan-3-yl)-6-methoxy-2H-benzotriazole-5-carboxamide; hydrate

Systemtic Name: (E)-but-2-enedioate; N-(1-ethylazepan-3-yl)-6-methoxy-2H-benzotriazole-5-carboxamide; hydrate Openeye Name: (E)-but-2-enedioate; N-(1-ethylazepan-3-yl)-6-methoxy-2H-benzotriazole-5-carboxamide; hydrate CAS Name: (E)-2-butenedioate; N-(1-ethyl-3-azepanyl)-6-methoxy-2H-benzotriazole-5-carboxamide; hydrate IUPAC Name: (E)-but-2-enedioate; N-(1-ethylazepan-3-yl)-6-methoxy-2H-benzotriazole-5-carboxamide; hydrate Traditional Name: N-(1-ethylazepan-3-yl)-6-methoxy-2H-benzotriazole-5-carboxamide fumarate hydrate Formula: C20H27N5O7-2 MolecularWeight: 449.45768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCCC(C1)NC(=O)C2=CC3=NNN=C3C=C2OC.C(=CC(=O)[O-])C(=O)[O-].O

Isomeric SMILES

CCN1CCCCC(C1)NC(=O)C2=CC3=NNN=C3C=C2OC.C(=C/C(=O)[O-])\C(=O)[O-].O

InChI

InChI=1S/C16H23N5O2.C4H4O4.H2O/c1-3-21-7-5-4-6-11(10-21)17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;5-3(6)1-2-4(7)8;/h8-9,11H,3-7,10H2,1-2H3,(H,17,22)(H,18,19,20);1-2H,(H,5,6)(H,7,8);1H2/p-2/b;2-1+;