(2S)-1-(azepan-1-yl)-3-[3-[(3-indazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-indazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Openeye Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-indazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-azepanyl)-3-[3-[[3-(1-indazolyl)propylamino]methyl]phenoxy]-2-propanol IUPAC Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-indazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Traditional Name: (2S)-1-(azepan-1-yl)-3-[3-[(3-indazol-1-ylpropylamino)methyl]phenoxy]propan-2-ol Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCCCN3C4=CC=CC=C4C=N3)O

Isomeric SMILES

C1CCCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNCCCN3C4=CC=CC=C4C=N3)O

InChI

InChI=1S/C26H36N4O2/c31-24(20-29-14-5-1-2-6-15-29)21-32-25-11-7-9-22(17-25)18-27-13-8-16-30-26-12-4-3-10-23(26)19-28-30/h3-4,7,9-12,17,19,24,27,31H,1-2,5-6,8,13-16,18,20-21H2/t24-/m0/s1