3-[6-[(4-methoxyphenyl)methoxy]-5-nitro-pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine

Systemtic Name: 3-[6-[(4-methoxyphenyl)methoxy]-5-nitro-pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Openeye Name: 3-[6-[(4-methoxyphenyl)methoxy]-5-nitro-pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine CAS Name: 3-[6-[(4-methoxyphenyl)methoxy]-5-nitro-4-pyrimidinyl]-1,2,4,5-tetrahydro-3-benzazepine IUPAC Name: 3-[6-[(4-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine Traditional Name: 3-(5-nitro-6-p-anisyloxy-pyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

Isomeric SMILES

COC1=CC=C(C=C1)COC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4CC3

InChI

InChI=1S/C22H22N4O4/c1-29-19-8-6-16(7-9-19)14-30-22-20(26(27)28)21(23-15-24-22)25-12-10-17-4-2-3-5-18(17)11-13-25/h2-9,15H,10-14H2,1H3