4-[[4-(2-azanylethyl)phenyl]amino]-N-(3-morpholin-4-yl-3-oxidanylidene-propyl)piperidine-1-carboxamide methanoate

Systemtic Name: 4-[[4-(2-azanylethyl)phenyl]amino]-N-(3-morpholin-4-yl-3-oxidanylidene-propyl)piperidine-1-carboxamide methanoate Openeye Name: 4-[4-(2-aminoethyl)anilino]-N-(3-morpholino-3-oxo-propyl)piperidine-1-carboxamide formate CAS Name: 4-[4-(2-aminoethyl)anilino]-N-[3-(4-morpholinyl)-3-oxopropyl]-1-piperidinecarboxamide formate IUPAC Name: 4-[4-(2-aminoethyl)anilino]-N-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide formate Traditional Name: 4-[4-(2-aminoethyl)anilino]-N-(3-keto-3-morpholino-propyl)piperidine-1-carboxamide formate Formula: C22H34N5O5- MolecularWeight: 448.53586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC=C(C=C2)CCN)C(=O)NCCC(=O)N3CCOCC3.C(=O)[O-]

Isomeric SMILES

C1CN(CCC1NC2=CC=C(C=C2)CCN)C(=O)NCCC(=O)N3CCOCC3.C(=O)[O-]

InChI

InChI=1S/C21H33N5O3.CH2O2/c22-9-5-17-1-3-18(4-2-17)24-19-7-11-26(12-8-19)21(28)23-10-6-20(27)25-13-15-29-16-14-25;2-1-3/h1-4,19,24H,5-16,22H2,(H,23,28);1H,(H,2,3)/p-1