(S)-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-yl-methanol

Systemtic Name: (S)-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-yl-methanol Openeye Name: (S)-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridyl)methanol CAS Name: (S)-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridinyl)methanol IUPAC Name: (S)-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol Traditional Name: (S)-[4-(3-ethoxy-4-methoxy-benzyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-(3-pyridyl)methanol Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3)C(C4=CN=CC=C4)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCOC3=C(C2)C=C(C=C3)[C@@H](C4=CN=CC=C4)O)OC

InChI

InChI=1S/C25H28N2O4/c1-3-30-24-13-18(6-8-23(24)29-2)16-27-11-12-31-22-9-7-19(14-21(22)17-27)25(28)20-5-4-10-26-15-20/h4-10,13-15,25,28H,3,11-12,16-17H2,1-2H3/t25-/m0/s1