1-[[4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol

Systemtic Name: 1-[[4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol Openeye Name: 1-[[4-[(2-allyloxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridyl)piperidin-4-ol CAS Name: 1-[[4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridinyl)-4-piperidinol IUPAC Name: 1-[[4-[(2-prop-2-enoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol Traditional Name: 1-[[4-(2-allyloxybenzyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-4-(3-pyridyl)piperidin-4-ol Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

Isomeric SMILES

C=CCOC1=CC=CC=C1CN2CCOC3=C(C2)C=C(C=C3)CN4CCC(CC4)(C5=CN=CC=C5)O

InChI

InChI=1S/C30H35N3O3/c1-2-17-35-28-8-4-3-6-25(28)22-33-16-18-36-29-10-9-24(19-26(29)23-33)21-32-14-11-30(34,12-15-32)27-7-5-13-31-20-27/h2-10,13,19-20,34H,1,11-12,14-18,21-23H2