3-[[di(propan-2-yl)amino]-(4-pyren-1-ylbutoxy)phosphanyl]oxypropanenitrile

Systemtic Name: 3-[[di(propan-2-yl)amino]-(4-pyren-1-ylbutoxy)phosphanyl]oxypropanenitrile Openeye Name: 3-[(diisopropylamino)-(4-pyren-1-ylbutoxy)phosphanyl]oxypropanenitrile CAS Name: 3-[[di(propan-2-yl)amino]-[4-(1-pyrenyl)butoxy]phosphino]oxypropanenitrile IUPAC Name: 3-[[di(propan-2-yl)amino]-(4-pyren-1-ylbutoxy)phosphanyl]oxypropanenitrile Traditional Name: 3-[(diisopropylamino)-(4-pyren-1-ylbutoxy)phosphino]oxypropionitrile Formula: C29H35N2O2P MolecularWeight: 474.574161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)P(OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OCCC#N

Isomeric SMILES

CC(C)N(C(C)C)P(OCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OCCC#N

InChI

InChI=1S/C29H35N2O2P/c1-21(2)31(22(3)4)34(33-20-8-18-30)32-19-6-5-9-23-12-13-26-15-14-24-10-7-11-25-16-17-27(23)29(26)28(24)25/h7,10-17,21-22H,5-6,8-9,19-20H2,1-4H3