N-[3-oxidanylidene-3-[[(3S)-2-oxidanylideneazepan-3-yl]amino]propyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[(3S)-2-oxidanylideneazepan-3-yl]amino]propyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-oxo-3-[[(3S)-2-oxoazepan-3-yl]amino]propyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-oxo-3-[[(3S)-2-oxo-3-azepanyl]amino]propyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-oxo-3-[[(3S)-2-oxoazepan-3-yl]amino]propyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-keto-3-[[(3S)-2-ketoazepan-3-yl]amino]propyl]-N-phenethyl-pyrazinamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H27N5O3/c28-20(26-18-8-4-5-11-25-21(18)29)10-15-27(14-9-17-6-2-1-3-7-17)22(30)19-16-23-12-13-24-19/h1-3,6-7,12-13,16,18H,4-5,8-11,14-15H2,(H,25,29)(H,26,28)/t18-/m0/s1