5-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthylen-1-one

Systemtic Name: 5-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthylen-1-one Openeye Name: 5-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthylen-1-one CAS Name: 5-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-1-acenaphthylenone IUPAC Name: 5-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2,2-dipropylacenaphthylen-1-one Traditional Name: 5-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-2,2-dipropyl-acenaphthen-1-one Formula: C27H36N2O MolecularWeight: 404.58754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5CC5)C=CC=C3C1=O)CCC

Isomeric SMILES

CCCC1(C2=C3C(=C(C=C2)N4CCCN(CC4)CC5CC5)C=CC=C3C1=O)CCC

InChI

InChI=1S/C27H36N2O/c1-3-13-27(14-4-2)23-11-12-24(21-7-5-8-22(25(21)23)26(27)30)29-16-6-15-28(17-18-29)19-20-9-10-20/h5,7-8,11-12,20H,3-4,6,9-10,13-19H2,1-2H3