N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H26N4O3/c1-3-28(23(29)19-10-11-20-21(16-19)31-15-7-14-30-20)22-12-13-25-24(27-22)26-17(2)18-8-5-4-6-9-18/h4-6,8-13,16-17H,3,7,14-15H2,1-2H3,(H,25,26,27)/t17-/m1/s1