1-[2-(1,4-diazepan-1-ylmethyl)prop-2-enyl]-1-(3,3-diphenylpropyl)-3-propyl-urea

Systemtic Name: 1-[2-(1,4-diazepan-1-ylmethyl)prop-2-enyl]-1-(3,3-diphenylpropyl)-3-propyl-urea Openeye Name: 1-[2-(1,4-diazepan-1-ylmethyl)allyl]-1-(3,3-diphenylpropyl)-3-propyl-urea CAS Name: 1-[2-(1,4-diazepan-1-ylmethyl)prop-2-enyl]-1-(3,3-diphenylpropyl)-3-propylurea IUPAC Name: 1-[2-(1,4-diazepan-1-ylmethyl)prop-2-enyl]-1-(3,3-diphenylpropyl)-3-propylurea Traditional Name: 1-[2-(1,4-diazepan-1-ylmethyl)allyl]-1-(3,3-diphenylpropyl)-3-propyl-urea Formula: C28H40N4O MolecularWeight: 448.6434

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)CC(=C)CN3CCCNCC3

Isomeric SMILES

CCCNC(=O)N(CCC(C1=CC=CC=C1)C2=CC=CC=C2)CC(=C)CN3CCCNCC3

InChI

InChI=1S/C28H40N4O/c1-3-16-30-28(33)32(23-24(2)22-31-19-10-17-29-18-21-31)20-15-27(25-11-6-4-7-12-25)26-13-8-5-9-14-26/h4-9,11-14,27,29H,2-3,10,15-23H2,1H3,(H,30,33)