4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-isocyano-chromen-2-one

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-isocyano-chromen-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-isocyano-chromen-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-isocyano-1-benzopyran-2-one IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-isocyanochromen-2-one Traditional Name: 6-isocyano-4-[(1-piperonyl-4-piperidyl)amino]coumarin Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)OC(=O)C=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)OC(=O)C=C2NC3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N3O4/c1-24-17-3-5-20-18(11-17)19(12-23(27)30-20)25-16-6-8-26(9-7-16)13-15-2-4-21-22(10-15)29-14-28-21/h2-5,10-12,16,25H,6-9,13-14H2