1-(4-cyanophenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea

Systemtic Name: 1-(4-cyanophenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea Openeye Name: 1-(4-cyanophenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea CAS Name: 1-(4-cyanophenyl)-1-(3-phenoxypropyl)-3,3-bis[3-(1-pyrrolidinyl)propyl]urea IUPAC Name: 1-(4-cyanophenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidin-1-ylpropyl)urea Traditional Name: 1-(4-cyanophenyl)-1-(3-phenoxypropyl)-3,3-bis(3-pyrrolidinopropyl)urea Formula: C31H43N5O2 MolecularWeight: 517.70542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN(CCCN2CCCC2)C(=O)N(CCCOC3=CC=CC=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCN(C1)CCCN(CCCN2CCCC2)C(=O)N(CCCOC3=CC=CC=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C31H43N5O2/c32-27-28-13-15-29(16-14-28)36(25-10-26-38-30-11-2-1-3-12-30)31(37)35(23-8-21-33-17-4-5-18-33)24-9-22-34-19-6-7-20-34/h1-3,11-16H,4-10,17-26H2